Found 38 hits of ki for UniProtKB: P50750 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81433
(CDK Inhibitor, 6)Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21) | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81441
(CDK Inhibitor, 14)Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23) | PDB
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| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81430
(CDK Inhibitor, 3)Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21) | PDB
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| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81434
(CDK Inhibitor, 7)Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1 Show InChI InChI=1S/C17H19N5O2S2/c1-4-18-17-20-11(2)15(25-17)14-8-9-19-16(22-14)21-12-6-5-7-13(10-12)26(3,23)24/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22) | PDB
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| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81439
(CDK Inhibitor, 12)Show InChI InChI=1S/C16H13N5OS/c1-10-14(23-16(22)21(10)2)13-6-7-18-15(20-13)19-12-5-3-4-11(8-12)9-17/h3-8H,1-2H3,(H,18,19,20) | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5655
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | PDB
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| DrugBank
MMDB
PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 (unknown origin) |
J Med Chem 56: 660-70 (2013)
Article DOI: 10.1021/jm301495v
BindingDB Entry DOI: 10.7270/Q28G8N18 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50229973
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19) | PDB
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| Article
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 (unknown origin) |
J Med Chem 56: 660-70 (2013)
Article DOI: 10.1021/jm301495v
BindingDB Entry DOI: 10.7270/Q28G8N18 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81432
(CDK Inhibitor, 5)Show SMILES CNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1 Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-14(16)19-9)12-6-7-18-15(21-12)20-10-4-3-5-11(8-10)25(22,23)17-2/h3-8,17H,1-2H3,(H2,16,19)(H,18,20,21) | PDB
MMDB
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81431
(CDK Inhibitor, 4)Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1 Show InChI InChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22) | PDB
MMDB
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GoogleScholar
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81429
(CDK Inhibitor, 2)Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C16H18N6O2S2/c1-3-18-16-20-10(2)14(25-16)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(17,23)24/h4-9H,3H2,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22) | PDB
MMDB
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| PC cid
PC sid
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| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM8061
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 | 4...)Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19) | PDB
MMDB
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| KEGG
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| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81440
(CDK Inhibitor, 13)Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1 Show InChI InChI=1S/C16H15N5O3S/c1-9-4-5-11(8-13(9)21(23)24)18-15-17-7-6-12(19-15)14-10(2)20(3)16(22)25-14/h4-8H,1-3H3,(H,17,18,19) | PDB
MMDB
Reactome pathway
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GoogleScholar
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| KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81435
(CDK Inhibitor, 8)Show SMILES CCNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1 Show InChI InChI=1S/C16H18N6O2S2/c1-3-19-26(23,24)12-6-4-5-11(9-12)21-16-18-8-7-13(22-16)14-10(2)20-15(17)25-14/h4-9,19H,3H2,1-2H3,(H2,17,20)(H,18,21,22) | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319622
(CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...)Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1 Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23) | PDB
MMDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM498187
(US11014911, Example 15 | US11718603, Example 15)Show SMILES Cc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC2(C)CC2)on1 |r| | PDB
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UniChem
| US Patent
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores... |
US Patent US11014911 (2021)
BindingDB Entry DOI: 10.7270/Q23N26H2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81436
(CDK Inhibitor, 9)Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1 Show InChI InChI=1S/C20H24N6O3S2/c1-13-4-5-15(12-17(13)31(27,28)26-8-10-29-11-9-26)24-19-22-7-6-16(25-19)18-14(2)23-20(21-3)30-18/h4-7,12H,8-11H2,1-3H3,(H,21,23)(H,22,24,25) | PDB
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| PC cid
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| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81437
(CDK Inhibitor, 10)Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1 Show InChI InChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
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Patents
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| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319620
(CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...)Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1 Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25) | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319623
(4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...)Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22) | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
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| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM81438
(CDK Inhibitor, 11)Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2sc(=O)n(C)c2C)cc1 Show InChI InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22) | PDB
MMDB
Reactome pathway
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description
Kinase assay using cyclin-dependant kinases (CDK). |
Chem Biol 17: 1111-21 (2010)
Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50193090
(CHEMBL3895785)Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22) | PDB
MMDB
Reactome pathway
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human CDK9 (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50261273
(CHEMBL4076947)Show SMILES Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cc(cc2Cl)C#N)ncn1 Show InChI InChI=1S/C18H11Cl2N7/c1-9-4-14(24-8-23-9)26-18-16-13(2-3-22-18)25-17(27-16)15-11(19)5-10(7-21)6-12(15)20/h2-6,8H,1H3,(H,25,27)(H,22,23,24,26) | PDB
MMDB
Reactome pathway
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| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 (unknown origin) |
Bioorg Med Chem Lett 27: 4370-4376 (2017)
Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50434821
(CHEMBL2387224)Show InChI InChI=1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23) | PDB
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Reactome pathway
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| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 (unknown origin) |
Eur J Med Chem 67: 175-87 (2013)
Article DOI: 10.1016/j.ejmech.2013.03.070
BindingDB Entry DOI: 10.7270/Q2416ZGB |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM498185
(US11014911, Example 13 | US11718603, Example 13 | ...)Show SMILES COCc1cc(C(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)C)n(C)n1 |r| | PDB
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UniChem
| US Patent
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores... |
US Patent US11014911 (2021)
BindingDB Entry DOI: 10.7270/Q23N26H2 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319616
(1-(4-(4-(4-(2-Amino-4-methylthiazol-5-yl)pyrimidin...)Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1 Show InChI InChI=1S/C20H23N7OS/c1-13-18(29-19(21)23-13)17-7-8-22-20(25-17)24-15-3-5-16(6-4-15)27-11-9-26(10-12-27)14(2)28/h3-8H,9-12H2,1-2H3,(H2,21,23)(H,22,24,25) | PDB
MMDB
Reactome pathway
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| 264 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319624
(Aminopyrimidine, 4 | CHEMBL1084454 | N1-(4-(2,4-Di...)Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3,(H,17,19,20) | PDB
MMDB
Reactome pathway
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| 337 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319625
(CHEMBL1083150 | N1-(4-(2,4-Dimethylthiazol-5-yl)py...)Show InChI InChI=1S/C16H17N5S/c1-10-15(22-11(2)19-10)14-8-9-18-16(21-14)20-13-6-4-12(17-3)5-7-13/h4-9,17H,1-3H3,(H,18,20,21) | PDB
MMDB
Reactome pathway
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| 348 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319615
(1-(4-(4-(4-(4-Methyl-2-(methylamino)thiazol-5-yl)p...)Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1 Show InChI InChI=1S/C21H25N7OS/c1-14-19(30-21(22-3)24-14)18-8-9-23-20(26-18)25-16-4-6-17(7-5-16)28-12-10-27(11-13-28)15(2)29/h4-9H,10-13H2,1-3H3,(H,22,24)(H,23,25,26) | PDB
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Reactome pathway
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| 448 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50277583
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23) | PDB
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| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319617
(CHEMBL1084630 | N-Ethyl-4-methyl-5-(2-(4-morpholin...)Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C20H24N6OS/c1-3-21-20-23-14(2)18(28-20)17-8-9-22-19(25-17)24-15-4-6-16(7-5-15)26-10-12-27-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,21,23)(H,22,24,25) | PDB
MMDB
Reactome pathway
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| 559 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319621
(CHEMBL1086088 | N-Ethyl-4-methyl-5-(2-(3,4,5-trime...)Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1 Show InChI InChI=1S/C19H23N5O3S/c1-6-20-19-22-11(2)17(28-19)13-7-8-21-18(24-13)23-12-9-14(25-3)16(27-5)15(10-12)26-4/h7-10H,6H2,1-5H3,(H,20,22)(H,21,23,24) | PDB
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| 564 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM8066
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 37 | 4...)Show InChI InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21) | PDB
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| 575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319627
(1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-y...)Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1 Show InChI InChI=1S/C21H24N6OS/c1-14-20(29-15(2)23-14)19-8-9-22-21(25-19)24-17-4-6-18(7-5-17)27-12-10-26(11-13-27)16(3)28/h4-9H,10-13H2,1-3H3,(H,22,24,25) | PDB
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Reactome pathway
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| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319626
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-(4-(methylsulfon...)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1 Show InChI InChI=1S/C20H24N6O2S2/c1-14-19(29-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)25-10-12-26(13-11-25)30(3,27)28/h4-9H,10-13H2,1-3H3,(H,21,23,24) | PDB
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| 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50224883
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29) | PDB
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| >1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
Bioorg Med Chem Lett 17: 6593-601 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319618
(CHEMBL1084629 | N,4-Dimethyl-5-(2-(4-morpholinophe...)Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24) | PDB
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Reactome pathway
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| 2.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50319619
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl...)Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CDK9 |
J Med Chem 53: 4367-78 (2010)
Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D |
More data for this
Ligand-Target Pair | |
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