Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T78429 | Target Info | |||
| Target Name | Inhibitor of nuclear factor kappa-B kinase beta (IKKB) | ||||
| Synonyms |
Nuclear factor NF-kappa-B inhibitor kinase beta; NFKBIKB; Inhibitor of nuclear factor kappa-B kinase subunit beta; IkBKB; IKKB; IKK2; IKK-beta; IKK-B; I-kappa-B-kinase beta; I-kappa-B kinase 2
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| Target Type | Clinical trial Target | ||||
| Gene Name | IKBKB | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 90 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
BMS-509744
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Investigative | Compound Info | ||
| Synonyms |
BMS-509744; 439575-02-7; BMS 509744; CHEMBL209148; N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide; N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide; GTPL9994; SCHEMBL14460651; KS-00001CVA; CHEBI:91404; MolPort-039-101-283; C32H41N5O4S2; BMS509744; BDBM50186460; 3499AH; compound 3 [PMID:16682193]; AKOS025142036; NCGC00229512-02; NCGC00229512-01
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
8-chloro-quinoline-3-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL436817; Cyanoquinoline, 11; SCHEMBL6071997; BDBM21898; CHEBI:94979; BRD-K00088062-001-01-3; 4-[(3-Chloro-4-fluorophenyl)amino]-6-[(1H-imidazole-5-ylmethyl)amino]-8-chloro-3-quinolinecarbonitrile
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| Activity |
IC50 = 73000 nM
|
[2] | |||
| Compound Name |
PMID23374866C31
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Investigative | Compound Info | ||
| Synonyms |
4idv; GTPL8174; BDBM50429614; 13V
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-Methyl-1-[[5-[3-(2-morpholin-4-ylethoxy)phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]pyrrole-2,5-dione;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290632; BDBM50018496
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
5-(4-Chlorophenyl)thiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL207002; Maybridge3_006320; SCHEMBL6378947; CTK5B5045; DTXSID00346617; HMS1448P06; ZINC106876; BDBM50186615; CCG-55625; MCULE-5997878457; IDI1_017707; 5-(4-Chlorophenyl)-2-thiophenecarboxamide; 5-(4-Chlorophenyl)-2-thiophenecarboxamide #; Thiophene-2-carboxamide, 5-(4-chlorophenyl)-; SR-01000644642-1
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| Activity |
IC50 = 50000 nM
|
[5] | |||
| Compound Name |
3-Methyl-1-[(2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290625; SCHEMBL17196946; BDBM50018491
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
3-Ureido-thieno[2,3-b]pyridine-2-carboxylic acid amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL382421; BDBM50186629
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
2-(2,6-Dichloro-phenylamino)-7-(3-diethylamino-propenyl)-1,6-dimethyl-1,8-dihydro-imidazo[4,5-h]isoquinolin-9-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL281957; SCHEMBL6621670; BDBM50126732
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| Activity |
IC50 = 50000 nM
|
[7] | |||
| Compound Name |
4-(4-Methyl-1H-indol-5-ylamino)-2-(3-oxo-3-(pyrrolidin-1-yl)prop-1-enyl)thieno[2,3-b]pyridine-5-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL477817; SCHEMBL5520662; SCHEMBL5520668; BDBM50263132
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| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
3-(7-(4-((1S,4S)-5-Methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1087650; SCHEMBL1015620; BDBM50311985
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| Activity |
IC50 ~ 50000 nM
|
[9] | |||
| Compound Name |
3-Amino-6-(3-aminopropoxy)-4-methylthieno[2,3-b]pyridine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL568881; BDBM50302189
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| Activity |
IC50 ~ 50000 nM
|
[10] | |||
| Compound Name |
3-Methyl-1-[(5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290626; SCHEMBL14414082; BDBM50018492
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
4-Tert-Butyl-N-[2-Methyl-3-(6-{[4-(Morpholin-4-Ylcarbonyl)phenyl]amino}-7h-Purin-2-Yl)phenyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3263640; BDBM50012060; Q27453164; 4-t-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7h-purin-2-yl)phenyl]benzamide; 4-tert-butyl-N-[2-methyl-3-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-2-yl]phenyl]benzamide
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| Activity |
IC50 ~ 50000 nM
|
[11] | |||
| Compound Name |
N-[3-(2-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1089082; SCHEMBL4656083; BDBM50314051; N-(3-(2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide
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| Activity |
IC50 ~ 50000 nM
|
[12] | |||
| Compound Name |
Ethyl 2-[4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-5-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290627; BDBM50018493
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
1-[[5-[3-[2-(Dimethylamino)ethoxy]phenyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylpyrrole-2,5-dione;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290633; SCHEMBL5322989; BDBM50018495
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
4-[4-(2-Aminophenoxy)phenyl]-N-(4-methylphenyl)pyrimidin-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3934219; BDBM50207183
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| Activity |
IC50 ~ 50000 nM
|
[13] | |||
| Compound Name |
3-Methyl-1-[(5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3290628; SCHEMBL17197023; BDBM50018494
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
Chembl4283909
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL15742048; ZINC41286240; AKOS011268000; 4-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-amine
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| Activity |
IC50 = 50900 nM
|
[3] | |||
| Compound Name |
4-[[4-(4-Aminophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3899545; SCHEMBL3518431; BDBM50207225
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| Activity |
IC50 = 53000 nM
|
[13] | |||
| Compound Name |
[(4-Bromonaphthyl)sulfonyl](3-imidazolylpropyl)amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4279075; ZINC9061999; AKOS002296257; MCULE-5394468901; ST50778763; AP-263/43371422; Z1345959531; 4-bromo-N-[3-(1H-imidazol-1-yl)propyl]-1-naphthalenesulfonamide; 4-bromo-N-[3-(1H-imidazol-1-yl)propyl]naphthalene-1-sulfonamide
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| Activity |
IC50 = 54700 nM
|
[14] | |||
| Compound Name |
3,4-Dichloro-2-ethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
IKKss-IN-124; 3,4-dichloro-2-ethoxy-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide; CBKinase1_012167; CBKinase1_024567; AP-263/42610845; MLS000690687; CHEMBL1502722; HMS2634F10; HMS3361K16; ZINC4667034; AKOS001268706; MCULE-4337626042; SMR000301094; ST50171901; SR-01000300126; SR-01000300126-1; BRD-K84869143-001-01-8; Z199467790; [(3,4-dichloro-2-ethoxyphenyl)sulfonyl](2,2,6,6-tetramethyl(4-piperidyl))amine
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| Activity |
IC50 = 55800 nM
|
[14] | |||
| Compound Name |
4-[[4-(4-Cyanophenyl)pyrimidin-2-yl]amino]benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3946648; SCHEMBL3517224; BDBM50207182; SR-00000001894; SR-00000001894-1
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| Activity |
IC50 = 58000 nM
|
[13] | |||
| Compound Name |
4-(4-Bromophenyl)-3-methyl-1H-pyrazol-5-amine
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Investigative | Compound Info | ||
| Synonyms |
4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine; 5-Amino-4-(4-bromophenyl)-3-methylpyrazole; 4-(4-bromophenyl)-5-methyl-2H-pyrazol-3-amine; CHEMBL4294454; SCHEMBL13310491; CTK5I7189; CTK8F6718; DTXSID80589429; ZINC8701292; KM3347; AKOS009142305; AS-65477; CS-0119878; V9624; 4-(4-bromophenyl)-5-methyl-2h-pyrazol-3-ylamine; 5-Amino-4-(4-bromophenyl)-3-methylpyrazole, 96%; Z274574824
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| Activity |
IC50 = 60100 nM
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[3] | |||
| Compound Name |
[(4-Chloronaphthyl)sulfonyl](3-imidazolylpropyl)amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4290413; ZINC11613756; AKOS000599473; MCULE-2004117777; ST085484; AP-263/43371404; Z1346478493; 4-chloro-N-(3-imidazol-1-ylpropyl)naphthalene-1-sulfonamide; 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-naphthalenesulfonamide; 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]naphthalene-1-sulfonamide
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| Activity |
IC50 = 64300 nM
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[14] | |||
| Compound Name |
4-[[4-[4-(2-Aminoethoxy)phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3901722; BDBM50207185
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| Activity |
IC50 = 65000 nM
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[13] | |||
| Compound Name |
Chembl4286771
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Investigative | Compound Info | ||
| Activity |
IC50 = 68000 nM
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[14] | |||
| Compound Name |
Chembl4294669
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Investigative | Compound Info | ||
| Activity |
IC50 = 71300 nM
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[14] | |||
| Compound Name |
Unii-O5YT36mst0
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Investigative | Compound Info | ||
| Synonyms |
EF-24; O5YT36MST0; CHEMBL379849; SCHEMBL8119310; BDBM50431030; ZINC34009101; EF-24, >=98% (HPLC); 3,5-bis(2-flurobenzylidene) piperidin-4-one; (3E,5E)-3,5-Bis((2-fluorophenyl)methylene)-4-piperidinone; 4-Piperidinone, 3,5-bis((2-fluorophenyl)methylene)-, (3E,5E)-
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| Activity |
IC50 = 72000 nM
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[15] | |||
| Compound Name |
Chembl4281464
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Investigative | Compound Info | ||
| Activity |
IC50 = 75700 nM
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[3] | |||
| Compound Name |
4-[[4-[4-[2-(Dimethylamino)ethoxy]phenyl]pyrimidin-2-yl]amino]benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3967405; BDBM50207186
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| Activity |
IC50 = 79000 nM
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[13] | |||
| Compound Name |
4-(3-Bromophenyl)-3-methyl-1H-pyrazol-5-amine
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Investigative | Compound Info | ||
| Synonyms |
4-(3-bromophenyl)-5-methyl-1H-pyrazol-3-amine; CHEMBL4285123; ZINC37504468; AKOS009590873; AKOS022316431; MCULE-7105794193; NE43735; Y2624; EN300-75549; Z1255523429
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| Activity |
IC50 = 88000 nM
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[3] | |||
| Compound Name |
Chembl4282600
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Investigative | Compound Info | ||
| Synonyms |
BDBM50470415
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| Activity |
IC50 = 97400 nM
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[16] | |||
| Compound Name |
Chembl4282542
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Investigative | Compound Info | ||
| Synonyms |
ZINC1013301; AKOS003293751; MCULE-9094573340; AO-080/42479760
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| Activity |
IC50 = 98600 nM
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[14] | |||
| Compound Name |
Chembl4286561
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
4-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine
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Investigative | Compound Info | ||
| Synonyms |
4-(3-Chlorophenyl)-5-methyl-1H-pyrazol-3-amine; 1H-Pyrazol-3-amine, 4-(3-chlorophenyl)-5-methyl-; 4-(3-chlorophenyl)-3-methylpyrazole-5-ylamine; 3-Amino-4-(3-chlorophenyl)-5-methyl pyrazole; CHEMBL4292952; CTK2B7901; DTXSID20490520; ALBB-032828; ZINC8701428; MFCD09438994; SBB082624; AKOS000302222; AKOS008124417; AKOS022304209; MCULE-3974962278; BB 0260654; ST50532394; EN300-88760; Y-5281; Z1262237268; 4-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine(SALTDATA; 4-(3-CHLOROPHENYL)-3-METHYL-1H-PYRAZOL-5-YLAMINE
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
Chembl4280454
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Investigative | Compound Info | ||
| Synonyms |
AKOS012196576
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
Chembl4292701
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
Chembl4284888
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
3-Methyl-4-(3-methylphenyl)-1H-pyrazol-5-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4281692; CTK6C0953; CTK8F5130; ALBB-006919; MFCD12027287; STK504195; ZINC32919530; AKOS000264664; 3-Methyl-4-(m-tolyl)-1H-pyrazol-5-amine; 5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-amine; Z2680629344
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4166474
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
8-(Quinolin-7-ylsulfonylamino)-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL5340265; CHEMBL3956889
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| Activity |
IC50 ~ 100000 nM
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[18] | |||
| Compound Name |
5-Acetylenyl-3-thiophenecarboxamide, 1m
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL193966; BDBM26089; N-(3-{2-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]ethynyl}phenyl)pyridine-2-carboxamide
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| Activity |
IC50 = 100000 nM
|
[19] | |||
| Compound Name |
Chembl4284120
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
Chembl4294749
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
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[17] | |||
| Compound Name |
Chembl4279494
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
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[17] | |||
| Compound Name |
Chembl4288275
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
Chembl4280373
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4284415
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-(2-Aminoethyl)-4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-methylbenzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2375686; BDBM50432996
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| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
Chembl4286012
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4284828
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-Methyl-4-phenyl-1H-pyrazol-5-amine
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Investigative | Compound Info | ||
| Synonyms |
5-Methyl-4-phenyl-2H-pyrazol-3-ylamine; 5-amino-3-methyl-4-phenylpyrazole; 5-methyl-4-phenyl-1H-pyrazol-3-amine; 3-Amino-5-Methyl-4-Phenylpyrazole; 5-methyl-4-phenyl-2H-pyrazol-3-amine; UNII-OC0W48DG01; OC0W48DG01; 1H-Pyrazol-3-amine,5-methyl-4-phenyl-; 1H-Pyrazol-5-amine,3-methyl-4-phenyl-; 3-methyl-4-phenylpyrazole-5-ylamine; Pyrazole, 5-amino-3-methyl-4-phenyl-; 1H-Pyrazol-3-amine, 5-methyl-4-phenyl-; Maybridge3_005336; Oprea1_166909; MLS000718547; SCHEMBL544723; Pyrazole, 3(OR 5)-amino-5(OR 3)-methyl-4-phenyl-; CHEMBL1609052; CTK4G7923; CTK5B1468; DTXSID80975823; HMS1446C12; HMS2678A07; ALBB-006621; KS-00003KC6; ZINC8743937; BBL007578; CCG-48710; KM0404; MFCD00831955; SBB010561; STK161389; AKOS000265012; AKOS015898914; FS-1252; MCULE-5899288516; SB21940; IDI1_016723; 3-Amino-5-methyl-4-phenyl-1H-pyrazole; 3-Methyl-4-phenyl-1H-pyrazole-5-amine; 5-Methyl-4-phenyl-1H-pyrazol-3-ylamine; SMR000290815; ST037469; AB0131798; DB-053614; A5753; BB 0219097; FT-0640686; V6864; EN300-41461; AB00583018-02; SR-01000530901; 5-Methyl-4-phenyl-1,2-dihydro-3H-pyrazol-3-imine; SR-01000530901-1; SR-01000530901-2; 5-Methyl-4-phenyl-2H-pyrazol-3-ylamine, AldrichCPR; Q27285561; F0912-0735
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4294725
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4287493
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-(4-(Benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)benzoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL372345; BDBM50175691; 2-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzoic acid
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[20] | |||
| Compound Name |
Chembl4290916
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4291313
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4280665
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4284710
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL21586252
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Chembl4283382
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4290266
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Chembl4291690
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4280067
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Chembl4286341
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4291646
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
AKOS011267413
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
1-(1,3-Benzodioxol-5-yl)-8-[(2,3-dichlorobenzoyl)amino]-4H-chromeno[4,3-c]pyrazole-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL5257003; CHEMBL3914987
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[21] | |||
| Compound Name |
3-Methyl-4-(4-methylphenyl)-1H-pyrazol-5-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
3-methyl-4-(4-methylphenyl)pyrazole-5-ylamine; SCHEMBL842957; CHEMBL4286140; SBB079697; ZINC12880096; AKOS000687244; MCULE-6721632026; 3-Methyl-4-p-tolyl-1H-pyrazol-5-amine; BB 0219346; ST50530128; J3.614.174C; 5-methyl-4-(4-methylphenyl)-1H-pyrazol-3-amine; 3-Methyl-4-(4-methylphenyl)-1H-pyrazol-5-a mine; 4-(4-Methylphenyl)-3-methyl-1H-pyrazole-5-amine
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-(2H-1,3-Benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4289568; SCHEMBL15020886; ZINC36936208; AKOS022774009; MCULE-8451113259; NE45413; 4-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-3-amine; Z1278581691; 3-Methyl-4-(3,4-methylenedioxyphenyl)-1H-pyrazol-5-amine; 4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H-pyrazol-5-amine
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4278086
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4283501
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
8-Nitro-1-(4-sulfamoylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL5335359; CHEMBL3958939
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[18] | |||
| Compound Name |
4-(4-(Benzo[b]thiophen-2-yl)pyrimidin-2-ylamino)-N-isopentylbenzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL200892; BDBM50175704
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[20] | |||
| Compound Name |
Chembl4283080
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Chembl4287399
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4283832
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4276946
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
GTPL9965; compound 3a [Pipionne et al, 2018]; 1-[5-amino-4-(3,4-dichlorophenyl)-3-methyl-1H-pyrazol-1-yl]ethan-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4279585
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4277586
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Chembl4287256
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Chembl4282760
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-(Carbamoylamino)-N-methyl-5-phenylthiophene-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2375548; BDBM50432986
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[19] | |||
| Compound Name |
Chembl4281003
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
3-(Benzylcarbamoylamino)-5-phenylthiophene-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2375549; BDBM50432985
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[19] | |||
| Compound Name |
Chembl4293673
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Chembl4177097
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50277996
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
Chembl4283047
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
4-[[4-(4-Cyanophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3890215; BDBM50207184
Click to Show/Hide
|
||||
| Activity |
IC50 = 111000 nM
|
[13] | |||
| Compound Name |
Tert-butyl N-[2-[4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]phenoxy]ethyl]carbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3968376; BDBM50207224
Click to Show/Hide
|
||||
| Activity |
IC50 = 138000 nM
|
[13] | |||
| Compound Name |
4-[[4-(3-Cyanophenyl)pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)benzenesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3939542; BDBM50207217
Click to Show/Hide
|
||||
| Activity |
IC50 = 190000 nM
|
[13] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 14 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
PMID17480064C16
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
724711-21-1; 3fhr; 2jbp; 2jbo; P4O; Pyrrolopyridine, 16; Kinome_3179; 3r2y; GTPL8177; BDBM30185; ZINC16052855; AKOS027322581; DB08358; KB-19275; DB-013997; FT-0745988
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[22] | |||
| Compound Name |
2,5-Diethoxy-N-[3-(1H-imidazol-1-yl)propyl]benzenesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4287003; ZINC8715627; AKOS002296290; MCULE-8390668993; ST50778766; AP-263/43371406; [(2,5-diethoxyphenyl)sulfonyl](3-imidazolylpropyl)amine; F3237-0687; N-(3-(1H-imidazol-1-yl)propyl)-2,5-diethoxybenzenesulfonamide
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
Pyrrolopyridine, 9
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL388566; BDBM30178
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[22] | |||
| Compound Name |
2,5-Diethoxy-N-[3-(1H-imidazol-1-yl)propyl]-4-methylbenzenesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4289341; ZINC8714996; AKOS002296235; MCULE-9532573806; ST50778761; VU0606905-1; AP-263/43371433; F3237-0680; [(2,5-diethoxy-4-methylphenyl)sulfonyl](3-imidazolylpropyl)amine; 2,5-diethoxy-N-(3-imidazol-1-ylpropyl)-4-methylbenzenesulfonamide; N-(3-(1H-imidazol-1-yl)propyl)-2,5-diethoxy-4-methylbenzenesulfonamide
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
Chembl4278680
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
Chembl4292106
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
7-Methoxy-3,4,5,10-tetrahydro-1H-2,5-methanoazepino[3,4-b]indole-1-carboxylic Acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL392876; SCHEMBL1655459; BDBM50215481
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[23] | |||
| Compound Name |
2-[2-(2-Fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Pyrrolopyridine, 23; Kinome_2487; CHEMBL226471; SCHEMBL15508853; BDBM30192; DB07728; Q27096944
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[22] | |||
| Compound Name |
6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-1-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL395157; 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid; 6-METHOXY-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-1-CARBOXYLIC ACID; SCHEMBL608164; SCHEMBL12660570; CTK0H2172; DTXSID00397280; BDBM50215483; MFCD00010826; STL525685; AKOS015894383; MCULE-5714246217; ST065834; 952M635; J-011460; Z2216905627; 6-methoxy-1,2,3,4-tetrahydrobeta-carbolinecarboxylic acid; 6-Methoxy-1,2,3,4-tetrahydro-beta-carboline-1-carboxylic acid; 6-methoxy-2,3,4,9-tetrahydro-1h-beta-carboline-1-carboxylic acid; 1H-Pyrido[3,4-b]indole-1-carboxylic acid, 2,3,4,9-tetrahydro-6-methoxy-; 1H-Pyrido[3,4-b]indole-1-carboxylicacid, 2,3,4,9-tetrahydro-6-methoxy-; 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-carboxylate; 6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-1-carboxylic acid, 97%
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[23] | |||
| Compound Name |
Chembl4285936
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
Chembl4281480
Click to Show/Hide
|
Investigative | Compound Info | ||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
7-Azaindole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
1H-Pyrrolo[2,3-b]pyridine; 1,7-Diazaindene; 7H-Pyrrolo[2,3-b]pyridine; 7-Aza-1-pyrindine; 1,7-Dideazapurine; 1H-PYRROLO(2,3-b)PYRIDINE; MFCD00005606; pyrrolo[2,3-b]pyridine; 7-aza-indole; UNII-QX4465NR9T; 7H-Pyrrolo(2,3-b)pyridine; 7-Azaindole, 98%; 1 h-pyrrolo[2,3:b]pyridine; QX4465NR9T; Pyrrolo(2,3-b)pyridine; WLN: T56 BM INJ; EINECS 205-981-0; NSC 67063; 7-azaindol; 7-aza indole; pyrrolo[b]pyridine; zlchem 221; PubChem7679; ACMC-20lk5f; ACMC-1CKM0; pyrrolo[2,3-b]-pyridine; NCIOpen2_000707; SCHEMBL17837; KSC202K2D; 1-H-pyrrolo[2,3-b]pyridine; 1H-pyrrolo(2,3-b)-pyridine; CHEMBL389685; DTXSID3075046; BDBM16223; CTK1A2521; CTK2J8336; ZLC0029; WT674; ACN-S002680; ACT02468; ALBB-006259; BCP26852; CS-B0516; KS-000002OI; NSC67063; NSC77951; STR01850; ANW-26142; BBL008683; HTS000456; MFCD00075874; NSC-67063; NSC-77951; SBB004295; SC1771; STK503791; ZINC15442276; AKOS000446848; AC-1215; AS07114; CM14215; LS21042; MCULE-6621126582; PB32078; PS-4533; QC-3424; NCGC00188278-01; AK-26735; BR-26735; SC-03043; SY001940; AB0005988; DB-016106; AM20070247; FT-0604377; P1117; ST51044413; EN300-25796; A-9500; C-8859; Z-9562; 38720-EP2272517A1; 38720-EP2292615A1; 38720-EP2295433A2; 38720-EP2303879A1; 38720-EP2311837A1; 72278-EP2272517A1; 72278-EP2308867A2; 72278-EP2308870A2; 271A636; 271-63-6 7-azaindole; Q27287542; F0001-0881
Click to Show/Hide
|
||||
| Activity |
IC50 > 630957.34 nM
|
[24] | |||
| Compound Name |
N-Phenylpyrimidin-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
N-phenyl-2-pyrimidinamine; 2-Anilinopyrimidine; 2-(N-Anilino)pyrimidine; 2-Anilinopyrirmidine; 2-(Phenylamino)pyrimidine; anilinopyrimidine; MFCD01646270; CHEMBL1650061; Phenyliminopyrimidin; 2-phenylaminopyrimidine; PubChem23552; SCHEMBL911; 2-Pyrimidinamine, N-phenyl-; KSC497S9P; SCHEMBL21389617; CTK3J7997; DTXSID90469905; ACT06630; ZINC6665770; 1-benzyl-3-carboxypyridiniumchloride; BDBM50350909; AKOS006242256; CM14290; MCULE-8162084400; AS-58598; BR-51553; SY031633; AB0006887; DB-072288; FT-0651865; X0168; S-3664; A831405; J-506511; Z54888538
Click to Show/Hide
|
||||
| Activity |
IC50 > 630957.34 nM
|
[24] | |||
| Compound Name |
4-(6,7-Dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-ylamino)-benzenesulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1084346; SCHEMBL11297579; BDBM50319736
Click to Show/Hide
|
||||
| Activity |
IC50 > 10000000 nM
|
[25] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and SAR of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors. Bioorg Med Chem Lett. 2006 Jul 15;16(14):3706-12. | ||||
| REF 2 | Pharmacologic inhibition of tpl2 blocks inflammatory responses in primary human monocytes, synoviocytes, and blood. J Biol Chem. 2007 Nov 16;282(46):33295-304. | ||||
| REF 3 | N-Acetyl-3-aminopyrazoles block the non-canonical NF-kB cascade by selectively inhibiting NIK. Medchemcomm. 2018 Apr 12;9(6):963-968. | ||||
| REF 4 | Discovery of thienopyrimidine-based FLT3 inhibitors from the structural modification of known IKK inhibitors. Bioorg Med Chem Lett. 2014 Jun 15;24(12):2655-60. | ||||
| REF 5 | Combination of pharmacophore model development and binding mode analyses: identification of ligand features essential for IB kinase-beta (IKK) inhibitors and virtual screening based on it. Eur J Med Chem. 2011 Sep;46(9):3942-52. | ||||
| REF 6 | Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem. 2006 May 18;49(10):2898-908. | ||||
| REF 7 | Optimization of 2-phenylaminoimidazo[4,5-h]isoquinolin-9-ones: orally active inhibitors of lck kinase. J Med Chem. 2003 Apr 10;46(8):1337-49. | ||||
| REF 8 | 2-Alkenylthieno[2,3-b]pyridine-5-carbonitriles: Potent and selective inhibitors of PKCtheta. Bioorg Med Chem Lett. 2008 Aug 1;18(15):4420-3. | ||||
| REF 9 | Discovery of highly potent and selective type I B-Raf kinase inhibitors. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6571-4. | ||||
| REF 10 | The discovery of thienopyridine analogues as potent IkappaB kinase beta inhibitors. Part II. Bioorg Med Chem Lett. 2009 Oct 1;19(19):5547-51. | ||||
| REF 11 | Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases. Bioorg Med Chem Lett. 2014 May 1;24(9):2206-11. | ||||
| REF 12 | Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors. Bioorg Med Chem Lett. 2009 Dec 15;19(24):6890-2. | ||||
| REF 13 | Optimization and biological evaluation of aminopyrimidine-based IB kinase inhibitors with potent anti-inflammatory effects. Eur J Med Chem. 2016 Nov 10;123:544-556. | ||||
| REF 14 | A novel allosteric inhibitor that prevents IKK activation. Medchemcomm. 2018 Jan 9;9(2):239-243. | ||||
| REF 15 | Monocarbonyl curcumin analogues: heterocyclic pleiotropic kinase inhibitors that mediate anticancer properties. J Med Chem. 2013 May 9;56(9):3456-66. | ||||
| REF 16 | Design, synthesis and biological evaluation of novel thiazolidinedione derivatives as irreversible allosteric IKK- modulators. Eur J Med Chem. 2018 Sep 5;157:691-704. | ||||
| REF 17 | 4-Hydroxy- N-[3,5-bis(trifluoromethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide: a novel inhibitor of the canonical NF-B cascade. Medchemcomm. 2017 Aug 25;8(9):1850-1855. | ||||
| REF 18 | EP patent application no. 1501805A1, SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | ||||
| REF 19 | Novel IKK inhibitors discovery based on the co-crystal structure by using binding-conformation-based and ligand-based method. Eur J Med Chem. 2013 May;63:269-78. | ||||
| REF 20 | Design and preparation of 2-benzamido-pyrimidines as inhibitors of IKK. Bioorg Med Chem Lett. 2006 Jan 1;16(1):108-12. | ||||
| REF 21 | US patent application no. 7211597B2, Substituted pyrazolyl compounds for the treatment of inflammation | ||||
| REF 22 | Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). J Med Chem. 2007 May 31;50(11):2647-54. | ||||
| REF 23 | Novel tetrahydro-beta-carboline-1-carboxylic acids as inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2). Bioorg Med Chem Lett. 2007 Aug 15;17(16):4657-63. | ||||
| REF 24 | Selectivity of kinase inhibitor fragments. J Med Chem. 2011 Jul 28;54(14):5131-43. | ||||
| REF 25 | Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. Bioorg Med Chem Lett. 2010 Jun 15;20(12):3821-5. | ||||
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