Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50000815   

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-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260952 (CHEMBL4104489) Show SMILES NC(=O)c1[nH]cc(c1C(F)(F)F)-c1ccncc1 Show InChI InChI=1S/C11H8F3N3O/c12-11(13,14)8-7(5-17-9(8)10(15)18)6-1-3-16-4-2-6/h1-5,17H,(H2,15,18)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50248628 (CHEMBL4072496) Show SMILES NC(=O)c1[nH]cc(c1Cl)-c1ccncc1 Show InChI InChI=1S/C10H8ClN3O/c11-8-7(5-14-9(8)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260950 (CHEMBL4100387) Show SMILES Cc1c(c[nH]c1C(N)=O)-c1ccncc1 Show InChI InChI=1S/C11H11N3O/c1-7-9(6-14-10(7)11(12)15)8-2-4-13-5-3-8/h2-6,14H,1H3,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260954 (CHEMBL4070689) Show SMILES Cc1c(c[nH]c1C(N)=O)-c1ccncc1C Show InChI InChI=1S/C12H13N3O/c1-7-5-14-4-3-9(7)10-6-15-11(8(10)2)12(13)16/h3-6,15H,1-2H3,(H2,13,16)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260951 (CHEMBL4077370) Show SMILES CCc1c(c[nH]c1C(N)=O)-c1ccncc1 Show InChI InChI=1S/C12H13N3O/c1-2-9-10(7-15-11(9)12(13)16)8-3-5-14-6-4-8/h3-7,15H,2H2,1H3,(H2,13,16)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260953 (CHEMBL4072044) Show SMILES Cc1c(c[nH]c1C(N)=O)-c1ccnc(C)c1 Show InChI InChI=1S/C12H13N3O/c1-7-5-9(3-4-14-7)10-6-15-11(8(10)2)12(13)16/h3-6,15H,1-2H3,(H2,13,16)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260930 (CHEMBL4087403) Show SMILES NC(=O)c1cc(c[nH]1)-c1ccncc1Cl Show InChI InChI=1S/C10H8ClN3O/c11-8-5-13-2-1-7(8)6-3-9(10(12)15)14-4-6/h1-5,14H,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260947 (CHEMBL4095089) Show SMILES NC(=O)c1cc(c[nH]1)-c1ccncc1Br Show InChI InChI=1S/C10H8BrN3O/c11-8-5-13-2-1-7(8)6-3-9(10(12)15)14-4-6/h1-5,14H,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260946 (CHEMBL4077546) Show SMILES Cc1cnccc1-c1c[nH]c(c1)C(N)=O Show InChI InChI=1S/C11H11N3O/c1-7-5-13-3-2-9(7)8-4-10(11(12)15)14-6-8/h2-6,14H,1H3,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260959 (CHEMBL4066001) Show SMILES NC(=O)c1cc(c(Cl)[nH]1)-c1ccncc1 Show InChI InChI=1S/C10H8ClN3O/c11-9-7(5-8(14-9)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260961 (CHEMBL4064964) Show SMILES NC(=O)c1cc(cn1Cc1ccccc1)-c1ccncc1 Show InChI InChI=1S/C17H15N3O/c18-17(21)16-10-15(14-6-8-19-9-7-14)12-20(16)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,18,21)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260955 (CHEMBL4090079) Show SMILES NC(=O)c1cc(c[nH]1)-c1ccncc1 Show InChI InChI=1S/C10H9N3O/c11-10(14)9-5-8(6-13-9)7-1-3-12-4-2-7/h1-6,13H,(H2,11,14)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260929 (CHEMBL4072962) Show SMILES Cc1[nH]c(cc1-c1ccncc1)C(N)=O Show InChI InChI=1S/C11H11N3O/c1-7-9(6-10(14-7)11(12)15)8-2-4-13-5-3-8/h2-6,14H,1H3,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260927 (CHEMBL4062035) Show SMILES N#Cc1cc(c[nH]1)-c1ccncc1 Show InChI InChI=1S/C10H7N3/c11-6-10-5-9(7-13-10)8-1-3-12-4-2-8/h1-5,7,13H	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260948 (CHEMBL4102849) Show SMILES NC(=O)c1cc(c[nH]1)-c1ccnc(Cl)c1 Show InChI InChI=1S/C10H8ClN3O/c11-9-4-6(1-2-13-9)7-3-8(10(12)15)14-5-7/h1-5,14H,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260928 (CHEMBL4104570) Show SMILES CNC(=O)c1cc(c[nH]1)-c1ccncc1 Show InChI InChI=1S/C11H11N3O/c1-12-11(15)10-6-9(7-14-10)8-2-4-13-5-3-8/h2-7,14H,1H3,(H,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260960 (CHEMBL4084901) Show SMILES Cc1cc(ccn1)-c1c[nH]c(c1)C(N)=O Show InChI InChI=1S/C11H11N3O/c1-7-4-8(2-3-13-7)9-5-10(11(12)15)14-6-9/h2-6,14H,1H3,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260926 (CHEMBL4082225) Show SMILES CCc1cnccc1-c1c[nH]c(c1)C#N Show InChI InChI=1S/C12H11N3/c1-2-9-7-14-4-3-12(9)10-5-11(6-13)15-8-10/h3-5,7-8,15H,2H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50260949 (CHEMBL4066087) Show SMILES Cn1cc(cc1C(N)=O)-c1ccncc1 Show InChI InChI=1S/C11H11N3O/c1-14-7-9(6-10(14)11(12)15)8-2-4-13-5-3-8/h2-7H,1H3,(H2,12,15)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry, Roche Innovation Center Shanghai, Bldg 5, 720 Cailun Road, Shanghai 201203, China. Electronic address: cyrus.han@roche.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK8/Cyclin C expressed in baculovirus expression system using Ulight-GS peptide as substrate ...				Bioorg Med Chem Lett 27: 4488-4492 (2017) Article DOI: 10.1016/j.bmcl.2017.07.080 BindingDB Entry DOI: 10.7270/Q2NP26W9
					More data for this Ligand-Target Pair