Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50002559 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM21079
(1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...)Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28) | PDB
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description
Inhibition of CDK8 (unknown origin) |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901
BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50459996
(CHEMBL4227266)Show SMILES CCN1CCN(Cc2ccc(NC(=O)N[C@@H]3CCN(C3)c3ccnc(NC)n3)cc2C(F)(F)F)CC1 |r| Show InChI InChI=1S/C24H33F3N8O/c1-3-33-10-12-34(13-11-33)15-17-4-5-18(14-20(17)24(25,26)27)30-23(36)31-19-7-9-35(16-19)21-6-8-29-22(28-2)32-21/h4-6,8,14,19H,3,7,9-13,15-16H2,1-2H3,(H,28,29,32)(H2,30,31,36)/t19-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description
Inhibition of CDK8 (unknown origin) |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901
BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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CHEMBL
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PC cid
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PDB
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| PDB
Article
PubMed
| n/a | n/a | 199 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description
Inhibition of CDK8 (unknown origin) |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901
BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM62810
(2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...)Show InChI InChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20) | PDB
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia
Curated by ChEMBL
| Assay Description
Inhibition of CDK8 (unknown origin) |
J Med Chem 61: 5073-5092 (2018)
Article DOI: 10.1021/acs.jmedchem.7b00901
BindingDB Entry DOI: 10.7270/Q29W0J3B |
More data for this
Ligand-Target Pair | |
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