Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T97141 | Target Info | |||
| Target Name | Myosin light kinase (MYLK) | ||||
| Synonyms |
smMLCK; Telokin; Myosin light chain kinase, smooth muscle; MYLK1; MLCK210; MLCK1; MLCK; Kinase-related protein; KRP; Endothelial cell (EC) MLCK isoform; EC mlck; 210,000 molecular weight myosin light chain kinase
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| Target Type | Clinical trial Target | ||||
| Gene Name | MYLK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 6 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-Chloro-N-(2-(phenethylamino)pyrimidin-4-yl)benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1270522; BDBM50329500
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| Activity |
IC50 = 51000 nM
|
[1] | |||
| Compound Name |
1-[2-(1,3-Benzothiazol-2-ylamino)-4-ethyl-6-methylpyrimidin-5-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618301; BDBM50120595
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
1-[2-(1,3-Benzothiazol-2-ylamino)-4,6-dimethylpyrimidin-5-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1609840; MLS000333498; HMS2788I12; BDBM50120621; STK130262; STL045920; ZINC17195440; AKOS001699717; AKOS005699613; MCULE-1693223966; SMR000437681; ST50106844; SR-01000087336; SR-01000087336-1; 5-acetyl-2-(benzothiazol-2-ylamino)-4,6-dimethylpyrimidine; 1-[2-(1,3-benzothiazol-2-ylamino)-4,6-dimethyl-5-pyrimidinyl]-1-ethanone; 1-[2-(Benzothiazol-2-ylamino)-4,6-dimethyl-pyrimidin-5-yl]-ethanone
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-(4,6-Dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine
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Investigative | Compound Info | ||
| Synonyms |
N-(4,6-dimethylpyrimidin-2-yl)-1,3-benzothiazol-2-amine; CHEMBL1304613; CBMicro_038958; Cambridge id 5962934; MLS000687684; ZINC53232; HMS1678I05; HMS2707D09; BDBM50120622; STK789750; AKOS000622217; MCULE-5859849424; SMR000283312; BIM-0039006.P001; ST4051570; EU-0018852; SR-01000527429; benzothiazol-2-yl(4,6-dimethylpyrimidin-2-yl)amine; SR-01000527429-1; Q27196154
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-(6-Aminohexyl)-5-chloro-1-naphthalenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
1-NAPHTHALENESULFONAMIDE, N-(6-AMINOHEXYL)-5-CHLORO-; N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide; CHEMBL41631; N-AMINOHEXYL-5-CHLORO-1-NAPTHALENESULFONAMIDE HYDROCHLORIDE; N-(6-Aminohexyl)-5-chloro-1-naphthalenesulphonamide; Spectrum_000286; BRN 2888957; Spectrum_001450; Tocris-0369; Spectrum2_001569; Spectrum3_001600; Spectrum4_000316; Spectrum5_001878; Lopac-A-3281; Lopac0_000075; BSPBio_001230; BSPBio_003200; KBioGR_000932; KBioSS_000766; KBioSS_001930; DivK1c_000102; DivK1c_000129; DivK1c_001015; SCHEMBL166960; SPBio_001478; HMS500F04; KBio1_000102; KBio1_000129; KBio1_001015; KBio2_000766; KBio2_001930; KBio2_003334; KBio2_004498; KBio2_005902; KBio2_007066; KBio3_002700; DTXSID80984172; NINDS_000102; NINDS_000129; NINDS_001015; Bio1_000399; Bio1_000888; Bio1_001377; KUC109782N; ZINC1649496; BDBM50111446; CA-320; CCG-204170; DB04513; IDI1_000102; IDI1_000129; IDI1_001015; KSC-210-030; NCGC00015050-01; NCGC00015050-02; NCGC00015050-03; NCGC00015050-04; NCGC00015050-05; NCGC00024557-01; NCGC00024557-02; NCGC00024557-03; N-(6-Aminohexyl)-1-chloronaphthalene-5-sulfonamide; N-AMINOHEXYL-5-CHLORONAPHTH-1-YLSULFONAMIDE; Q2536561; BRD-K90259198-003-02-2; BRD-K90259198-003-04-8; [6-[[(5-Chloronaphthalen-1-yl)sulfonyl]amino]hexyl]amine; 5-Chloro-naphthalene-1-sulfonic acid (6-amino-hexyl)-amide
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| Activity |
Ki = 110000 nM
|
[3] | |||
| Compound Name |
N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
ha-1004; CHEMBL143054; H-1004; HA1004; N-(2-guanidinoethyl)isoquinoline-5-sulfonamide; 2-[2-(5-isoquinolinylsulfonylamino)ethyl]guanidine; Amino{2-[(5-isoquinolylsulfonyl)amino]ethyl}carboxamidine; HA 1004; HT 1004; KBioGR_000453; n-(2-carbamimidamidoethyl)isoquinoline-5-sulfonamide; N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide; BiomolKI_000037; BiomolKI2_000045; BSPBio_001113; KBioSS_000453; 2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine; SCHEMBL1272417; KBio2_000453; KBio2_003021; KBio2_005589; KBio3_000845; KBio3_000846; BRD4375; DTXSID60919543; Bio2_000387; Bio2_000867; HMS1362G15; HMS1792G15; HMS1990G15; HMS3403G15; BRD-4375; ZINC2170223; BDBM50216680; AKOS024285644; CCG-100641; IDI1_002142; NCGC00163379-01; NCGC00163379-02; NCGC00163379-03; ST086170; 1-(2-(isoquinoline-5-sulfonamido)ethyl)guanidine; 1-[2-(5-isoquinolylsulfonylamino)ethyl]guanidine; BRD-K05434375-001-03-2; BRD-K05434375-001-04-0; Q27163889
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| Activity |
Ki = 150000 nM
|
[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 36 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Melk-TI
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3355059; MELK-T1; GTPL9366; BCP26188; BDBM50043341; compound 7 [PMID: 25589925]; JNJ47117096; JNJ-47117096
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| Activity |
IC50 = 1000000 nM
|
[5] | |||
| Compound Name |
Ethyl 4-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-methoxy-6-methyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL550608; BDBM50120600
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| Activity |
IC50 = 2421307.79 nM
|
[2] | |||
| Compound Name |
Ethyl 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-methoxy-6-methyl-4-phenyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL563281; BDBM50120597
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| Activity |
IC50 = 3003032.28 nM
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[2] | |||
| Compound Name |
Ethyl 4-(4-chlorophenyl)-2-methoxy-6-methyl-3-phenacyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL558460; BDBM50120599
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| Activity |
IC50 = 3194920.09 nM
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[2] | |||
| Compound Name |
Ethyl 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-methoxy-4-(4-methoxyphenyl)-6-methyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL558859; BDBM50120613
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| Activity |
IC50 = 3300350.01 nM
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[2] | |||
| Compound Name |
Ethyl 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-methoxy-6-methyl-4-(4-methylphenyl)-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL558925; BDBM50120610
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| Activity |
IC50 = 3424680.02 nM
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[2] | |||
| Compound Name |
Ethyl 2-methoxy-6-methyl-3-phenacyl-4-phenyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL562342; BDBM50120596
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| Activity |
IC50 = 4291904.01 nM
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[2] | |||
| Compound Name |
Ethyl 2-methoxy-6-methyl-4-(4-methylphenyl)-3-phenacyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL558723; BDBM50120609
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| Activity |
IC50 = 5208348.07 nM
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[2] | |||
| Compound Name |
Ethyl 4-(4-chlorophenyl)-2-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618202; BDBM50120601
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| Activity |
IC50 = 5494523.05 nM
|
[2] | |||
| Compound Name |
Ethyl 3-[2-(4-chlorophenyl)-2-oxoethyl]-4-(4-hydroxyphenyl)-2-methoxy-6-methyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL550810; BDBM50120603
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| Activity |
IC50 = 6579001.72 nM
|
[2] | |||
| Compound Name |
1-[4-(4-Fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618293; BDBM50120618
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| Activity |
IC50 = 7518825.4 nM
|
[2] | |||
| Compound Name |
Ethyl 2-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-4-phenyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL564764; BDBM50120598
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| Activity |
IC50 = 7518825.4 nM
|
[2] | |||
| Compound Name |
1-[4-(4-Chlorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618292; BDBM50120617
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| Activity |
IC50 = 9009070.8 nM
|
[2] | |||
| Compound Name |
1-[4-(2-Chlorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618291; BDBM50120616
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| Activity |
IC50 = 9259339.33 nM
|
[2] | |||
| Compound Name |
Ethyl 4-(4-hydroxyphenyl)-2-methoxy-6-methyl-3-phenacyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL564992; BDBM50120602
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| Activity |
IC50 = 9803925.45 nM
|
[2] | |||
| Compound Name |
1-[4-(2-Chlorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618203; BDBM50120604
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| Activity |
IC50 = 10204224.39 nM
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[2] | |||
| Compound Name |
Ethyl 4-(4-hydroxyphenyl)-2-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL550811; BDBM50120608
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| Activity |
IC50 = 10204224.39 nM
|
[2] | |||
| Compound Name |
1-[2-Methyl-4-(4-chlorophenyl)-4H-pyrimido[2,1-b]benzothiazole-3-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618282; BDBM50120605
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| Activity |
IC50 = 10989046.22 nM
|
[2] | |||
| Compound Name |
Ethyl 2-methoxy-4-(4-methoxyphenyl)-6-methyl-3-phenacyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL563385; BDBM50120612
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| Activity |
IC50 = 13513567.02 nM
|
[2] | |||
| Compound Name |
1-[4-[4-(Dimethylamino)phenyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618299; BDBM50120593
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| Activity |
IC50 = 13568754.97 nM
|
[2] | |||
| Compound Name |
1-[4-(4-Fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618283; BDBM50120584
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| Activity |
IC50 = 13698720.35 nM
|
[2] | |||
| Compound Name |
1-[4-(4-Hydroxyphenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618295; BDBM50120589
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| Activity |
IC50 = 16949231.05 nM
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[2] | |||
| Compound Name |
Ethyl 2-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-4-(4-methylphenyl)-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL558858; BDBM50120611
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| Activity |
IC50 = 19607851.09 nM
|
[2] | |||
| Compound Name |
1-[4-(2-Hydroxyphenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618294; BDBM50120588
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| Activity |
IC50 = 21276980.72 nM
|
[2] | |||
| Compound Name |
1-[4-[4-(Dimethylamino)phenyl]-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618289; BDBM50120607
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| Activity |
IC50 = 22883370.91 nM
|
[2] | |||
| Compound Name |
1-[4-(2-Hydroxyphenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618284; BDBM50120585
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| Activity |
IC50 = 23256266.74 nM
|
[2] | |||
| Compound Name |
1-[4-(4-Hydroxyphenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618285; BDBM50120587
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| Activity |
IC50 = 23753083.75 nM
|
[2] | |||
| Compound Name |
Ethyl 2-methoxy-4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)-2-oxoethyl]-6-methyl-2,4-dihydro-1H-pyrimidine-5-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL551014; BDBM50120614
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| Activity |
IC50 = 24390460.5 nM
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[2] | |||
| Compound Name |
1-[4-(4-Hydroxy-3-methoxyphenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618290; BDBM50120615
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| Activity |
IC50 = 27248336.88 nM
|
[2] | |||
| Compound Name |
1-[4-(4-Hydroxy-3-methoxyphenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618300; BDBM50120594
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| Activity |
IC50 = 27248336.88 nM
|
[2] | |||
| Compound Name |
1-[2-Methyl-4-(4-nitrophenyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618298; BDBM50120592
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|
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| Activity |
IC50 = 32895008.28 nM
|
[2] | |||
| Compound Name |
1-[4-(4-Methoxyphenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618296; BDBM50120590
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|
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| Activity |
IC50 = 46083982.18 nM
|
[2] | |||
| Compound Name |
1-[4-(4-Methoxyphenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618286; BDBM50120620
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| Activity |
IC50 = 46729377.97 nM
|
[2] | |||
| Compound Name |
1-[2-Methyl-4-(3-nitrophenyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618297; BDBM50120591
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| Activity |
IC50 = 47620066.77 nM
|
[2] | |||
| Compound Name |
1-[2-Methyl-4-(3-nitrophenyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618287; BDBM50120619
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|
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| Activity |
IC50 = 49019626.74 nM
|
[2] | |||
| Compound Name |
1-[2-Methyl-4-(4-nitrophenyl)-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3618288; BDBM50120606
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|
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| Activity |
IC50 = 49023013.01 nM
|
[2] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidines as novel class of potent and highly selective CaMKII inhibitors. Bioorg Med Chem Lett. 2010 Nov 15;20(22):6696-8. | ||||
| REF 2 | Design, synthesis and pharmacological evaluation of pyrimidobenzothiazole-3-carboxylate derivatives as selective L-type calcium channel blockers. Bioorg Med Chem. 2015 Oct 15;23(20):6689-713. | ||||
| REF 3 | Synthesis and biological evaluation of 7-substituted-1-(3-bromophenylamino)isoquinoline-4-carbonitriles as inhibitors of myosin light chain kinase and epidermal growth factor receptor. Bioorg Med Chem. 2011 Jan 1;19(1):429-39. | ||||
| REF 4 | A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A. 2007 Dec 18;104(51):20523-8. | ||||
| REF 5 | Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase. ACS Med Chem Lett. 2014 May 23;6(1):25-30. | ||||
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