Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T00645 | Target Info | |||
| Target Name | HUMAN protein kinase cAMP-activated catalytic subunit alpha (PRKACA) | ||||
| Synonyms |
PKA C-alpha; cAMP-dependent protein kinase catalytic subunit alpha
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| Gene Name | PRKACA | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 14 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
AGGGWZCOULSEER-PYUWXLGESA-N
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Patented | Compound Info | ||
| Synonyms |
CHEMBL1922121; SCHEMBL3858001; AGGGWZCOULSEER-PYUWXLGESA-N; BDBM50358222; (3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol; US8846696, (3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol; (3RS, 4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
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| Activity |
IC50 = 200000 nM
|
[1] | |||
| Compound Name |
AM7
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Investigative | Compound Info | ||
| Synonyms |
pyrimidone, 22; AM 7; AM-7
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid 2-(4-hydroxy-benzoylamino)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL306883; SCHEMBL8303183; BDBM50055675
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
1-(2-Hydroxy-2-methylpropyl)-N-(5-((7-methoxyquinolin-4-yl)oxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
AMG-458; AMG 458; AMG458; UNII-4535RW5Y3A; 4535RW5Y3A; C30H29N5O5; Substituted Pyrazolone, 17; cc-602; MLS006010963; SCHEMBL197714; CHEMBL460472; BDBM24466; AMG-458,AMG458; DTXSID80238521; SYN1144; AMG458/AMG-458/; HMS3656H21; BCP01917; EX-A2447; 2209AH; ABP000135; s2747; ZINC43194549; AKOS027422876; CCG-269954; SB19374; NCGC00346670-01; NCGC00346670-05; AS-16283; HY-14723; SMR004702767; AMG-458(AMG458;AMG 458); CS-0003527; FT-0752842; SW220166-1; Z-3256; Q27258802
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| Activity |
IC50 = 100000 nM
|
[4] | |||
| Compound Name |
2-(3,4-Dihydroxybenzylidene)benzofuran-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3361128; BDBM50038423; ZINC16052822; (E)-2-(3,4-Dihydroxybenzylidene)benzofuran-3(2H)-one
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| Activity |
IC50 = 100000 nM
|
[5] | |||
| Compound Name |
5-[3-Fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl]oxy]phenyl]-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one
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Investigative | Compound Info | ||
| Synonyms |
AMG-51; pyrimidone, 51; AMG51; CHEMBL453737; SCHEMBL2868963; AMG-51;AMG 51; BDBM24769; SYN1111; C34H33F2N5O5; BCP21618; ZINC43178754; NCGC00263201-01; NCGC00263201-02; AS-16255
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
7-Deoxykalafungin
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL522996; BDBM29517; Pyranonaphthoquinone (PNQ) lactone, 11g
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
1-Phenyl-4-methoxy-2-butene-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099613; BDBM50444879; ZINC103230557; (E)-4-methoxy-1-phenylbut-2-en-1-one; (2E)-4-methoxy-1-phenyl-2-buten-1-one
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Acrylophenone
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Investigative | Compound Info | ||
| Synonyms |
1-phenylprop-2-en-1-one; 1-Phenyl-2-propen-1-one; 3-Oxo-3-phenylpropene; Phenyl vinyl ketone; 2-Propenophenone; Ethylene, benzoyl-; Vinyl phenyl ketone; Phenylvinylketone; Phenylvinyl ketone; 2-Propen-1-one, 1-phenyl-; Acetophenone, 2-methylene-; KETONE, PHENYL VINYL; NSC 174109; UNII-O4QWF7V5AA; O4QWF7V5AA; CHEMBL3099615; MFCD00457275; EINECS 212-190-4; BRN 0635987; Acryloylbenzene; Benzoylethylene; 1-phenylpropa-1,2-dien-1-ol; Acrylophenone (8CI); PubChem19662; Poly(vinyl phenyl ketone); 1-phenyl-1-oxo-2-propene; WLN: 1U1VR; SCHEMBL38134; 1-phenyl-prop-2-en-1-one; 4-07-00-00995 (Beilstein Handbook Reference); SCHEMBL13158915; SCHEMBL18428678; DTXSID30227607; ZINC1702416; 1968AC; BDBM50444877; NSC174109; AKOS006239796; 2-Propen-1-one, 1-phenyl- (9CI); AS07048; NE61852; NSC-174109; AK109451; BS-13325; FT-0727567; EN300-66663; 768P036; J-505095; Q20707278
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Chembl4276946
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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
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
6-Oxo-6-phenyl-4-hexenoic acid methyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099614; BDBM50444878
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N-{4-[(6,7-Dimethoxyquinolin-4-Yl)oxy]-3-Fluorophenyl}-1,5-Dimethyl-3-Oxo-2-Phenyl-2,3-Dihydro-1h-Pyrazole-4-Carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2031893; 03X; BDBM50383191; Q27449828
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| Activity |
IC50 = 100000 nM
|
[4] | |||
| Compound Name |
(1S,3R,4R)-Methyl 3-(6-amino-9H-purin-9-yl)-4-hydroxycyclopentanecarboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL235074; BDBM50219804
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| Activity |
IC50 = 168000 nM
|
[8] | |||
| Compound Name |
N-[6-[[(2R)-6-Amino-1-[[6-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-6-oxohexyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1077598; BDBM50311402
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| Activity |
IC50 = 183000 nM
|
[9] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 11 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
VFEDEOUBYBLDKN-AAFJCEBUSA-N
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|
Patented | Compound Info | ||
| Synonyms |
CHEMBL1922120; SCHEMBL3853662; VFEDEOUBYBLDKN-AAFJCEBUSA-N; BDBM50358221; (3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol; (3RS, 4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol; US8846696, (3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
XHPNYYOUZWOWNT-PYUWXLGESA-N
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Patented | Compound Info | ||
| Synonyms |
CHEMBL1922122; SCHEMBL3855548; XHPNYYOUZWOWNT-PYUWXLGESA-N; BDBM50358223; US8846696, (3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol; (3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol; (3RS, 4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
(3S)-2-Methyl-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922212; SCHEMBL1374946; BDBM50358211; (3S)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-pentan-2-ol
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
(3RS,4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922211; SCHEMBL1379184; BDBM50358237; (3RS, 4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2,2-dimethyl-hexan-3-ol; (4S)-2,2-dimethyl-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
(3RS,4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922209; SCHEMBL3855047; BDBM50358235; (3RS, 4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol; (4S)-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol; US8846696, (3RS,4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
(2R,3S)-3-((9-Isopropyl-6-((pyridin-3-ylmethyl)amino)-9H-purin-2-yl)amino)pentan-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CCT068127; CHEMBL1922219; SCHEMBL3336119; CCT68127; BDBM50358213
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
(3R)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-pentan-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922123; SCHEMBL1376524; BDBM50358210; (3R)-2-methyl-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
(3RS,4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922210; SCHEMBL1376090; BDBM50358236; (4S)-2-methyl-4-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]hexan-3-ol; (3RS, 4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
(2S,3R)-3-[[9-Propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1922218; SCHEMBL1378920; BDBM50358212; (2S3R)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-pentan-2-ol; US8846696, (2S3R)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-pentan-2-ol
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| Activity |
IC50 > 200000 nM
|
[1] | |||
| Compound Name |
4-[[6-[[(2R)-6-Amino-1-[[6-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-6-oxohexyl]carbamoylamino]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1077600; BDBM50311404
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| Activity |
IC50 = 240000 nM
|
[9] | |||
| Compound Name |
(1R,3S,4S)-Methyl 3-(6-amino-9H-purin-9-yl)-4-hydroxycyclopentanecarboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL235072; BDBM50219802
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| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | US patent application no. 8846696B2, Purine derivatives | ||||
| REF 2 | Design, synthesis, and biological evaluation of potent c-Met inhibitors. J Med Chem. 2008 Sep 25;51(18):5766-79. | ||||
| REF 3 | Synthesis and protein kinase C inhibitory activities of balanol analogs with replacement of the perhydroazepine moiety. J Med Chem. 1997 Jan 17;40(2):226-35. | ||||
| REF 4 | Structure-based design of novel class II c-Met inhibitors: 2. SAR and kinase selectivity profiles of the pyrazolone series. J Med Chem. 2012 Mar 8;55(5):1868-97. | ||||
| REF 5 | In vitro and in vivo characterization of a benzofuran derivative, a potential anticancer agent, as a novel Aurora B kinase inhibitor. Eur J Med Chem. 2015 Jan 7;89:310-9. | ||||
| REF 6 | Preparation and evaluation of deconstruction analogues of 7-deoxykalafungin as AKT kinase inhibitors. Bioorg Med Chem Lett. 2014 Jan 1;24(1):271-4. | ||||
| REF 7 | N-Acetyl-3-aminopyrazoles block the non-canonical NF-kB cascade by selectively inhibiting NIK. Medchemcomm. 2018 Apr 12;9(6):963-968. | ||||
| REF 8 | Carbocyclic 3'-deoxyadenosine-based highly potent bisubstrate-analog inhibitor of basophilic protein kinases. Bioorg Med Chem Lett. 2007 Oct 1;17(19):5336-9. | ||||
| REF 9 | Effect of the structure of adenosine mimic of bisubstrate-analog inhibitors on their activity towards basophilic protein kinases. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6098-101. | ||||
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