Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50009556   

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 (Homo sapiens (Human))	BDBM50529873 (CHEMBL4552616) Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnn(C)c3-c12 Show InChI InChI=1S/C17H16N4O2S/c1-9-12(4-3-7-19-9)23-17-13-11(15(24-17)16(18)22)6-5-10-8-20-21(2)14(10)13/h3-4,7-8H,5-6H2,1-2H3,(H2,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Displacement of Kinase tracer 236 from recombinant full-length human N-terminal GST-fused CDK8 (1 to 464 residues)/cyclin C (1 to 283 residues) expre...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529873 (CHEMBL4552616) Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnn(C)c3-c12 Show InChI InChI=1S/C17H16N4O2S/c1-9-12(4-3-7-19-9)23-17-13-11(15(24-17)16(18)22)6-5-10-8-20-21(2)14(10)13/h3-4,7-8H,5-6H2,1-2H3,(H2,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Displacement of Kinase tracer 236 from recombinant full-length human N-terminal GST-fused CDK8 (1 to 464 residues)/cyclin C (1 to 283 residues) expre...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50529873 (CHEMBL4552616) Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnn(C)c3-c12 Show InChI InChI=1S/C17H16N4O2S/c1-9-12(4-3-7-19-9)23-17-13-11(15(24-17)16(18)22)6-5-10-8-20-21(2)14(10)13/h3-4,7-8H,5-6H2,1-2H3,(H2,18,22)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Displacement of Kinase tracer 236 from GST-fused CDK19/cyclin C (unknown origin) after 60 mins by TR-FRET assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50529873 (CHEMBL4552616) Show SMILES Cc1ncccc1Oc1sc(C(N)=O)c2CCc3cnn(C)c3-c12 Show InChI InChI=1S/C17H16N4O2S/c1-9-12(4-3-7-19-9)23-17-13-11(15(24-17)16(18)22)6-5-10-8-20-21(2)14(10)13/h3-4,7-8H,5-6H2,1-2H3,(H2,18,22)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Displacement of Kinase tracer 236 from GST-fused CDK19/cyclin C (unknown origin) after 60 mins by TR-FRET assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 | US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI InChI=1S/C15H18Br2N4/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20/h18H,2-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 | US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI InChI=1S/C15H18Br2N4/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20/h18H,2-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 | US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI InChI=1S/C15H18Br2N4/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20/h18H,2-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK19 (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459995 (CHEMBL4225966 | US11471446, Compound DBA-10) Show SMILES Cc1c(Br)c(Br)c2CCCn3c(nc1c23)N1CCNCC1 Show InChI InChI=1S/C15H18Br2N4/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20/h18H,2-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK19 (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529874 (CHEMBL4584762) Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C Show InChI InChI=1S/C21H21N3O/c1-15-3-6-20(13-16(15)2)24-21(25)23-19-7-4-17(5-8-19)14-18-9-11-22-12-10-18/h3-13H,14H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length GST/His-fused CDK8/CycC expressed in Sf9 insect cells using RBER-IRStide as substrate after 1 hr in prese...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529874 (CHEMBL4584762) Show SMILES Cc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1C Show InChI InChI=1S/C21H21N3O/c1-15-3-6-20(13-16(15)2)24-21(25)23-19-7-4-17(5-8-19)14-18-9-11-22-12-10-18/h3-13H,14H2,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length GST/His-fused CDK8/CycC expressed in Sf9 insect cells using RBER-IRStide as substrate after 1 hr in prese...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529875 (CHEMBL4580000) Show SMILES Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1 Show InChI InChI=1S/C24H19FN4O2/c25-20-7-4-18(5-8-20)22-13-14-26-15-19(22)6-11-23(30)28-21-9-1-17(2-10-21)3-12-24-29-27-16-31-24/h1-2,4-11,13-16H,3,12H2,(H,28,30)/b11-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Displacement of Kinase tracer 236 from recombinant full-length human N-terminal GST-fused CDK8 (1 to 464 residues)/cyclin C (1 to 283 residues) expre...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529875 (CHEMBL4580000) Show SMILES Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1 Show InChI InChI=1S/C24H19FN4O2/c25-20-7-4-18(5-8-20)22-13-14-26-15-19(22)6-11-23(30)28-21-9-1-17(2-10-21)3-12-24-29-27-16-31-24/h1-2,4-11,13-16H,3,12H2,(H,28,30)/b11-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Displacement of Kinase tracer 236 from recombinant full-length human N-terminal GST-fused CDK8 (1 to 464 residues)/cyclin C (1 to 283 residues) expre...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529877 (CHEMBL4451211) Show SMILES Cc1ccc(NC(=O)Nc2nnc(s2)-c2cccc(F)c2)cc1C Show InChI InChI=1S/C17H15FN4OS/c1-10-6-7-14(8-11(10)2)19-16(23)20-17-22-21-15(24-17)12-4-3-5-13(18)9-12/h3-9H,1-2H3,(H2,19,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length GST/His-fused CDK8/CycC expressed in Sf9 insect cells using RBER-IRStide as substrate after 1 hr in prese...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529877 (CHEMBL4451211) Show SMILES Cc1ccc(NC(=O)Nc2nnc(s2)-c2cccc(F)c2)cc1C Show InChI InChI=1S/C17H15FN4OS/c1-10-6-7-14(8-11(10)2)19-16(23)20-17-22-21-15(24-17)12-4-3-5-13(18)9-12/h3-9H,1-2H3,(H2,19,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length GST/His-fused CDK8/CycC expressed in Sf9 insect cells using RBER-IRStide as substrate after 1 hr in prese...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50529875 (CHEMBL4580000) Show SMILES Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1 Show InChI InChI=1S/C24H19FN4O2/c25-20-7-4-18(5-8-20)22-13-14-26-15-19(22)6-11-23(30)28-21-9-1-17(2-10-21)3-12-24-29-27-16-31-24/h1-2,4-11,13-16H,3,12H2,(H,28,30)/b11-6+	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Displacement of Kinase tracer 236 from GST-fused CDK19/cyclin C (unknown origin) after 60 mins by TR-FRET assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50529875 (CHEMBL4580000) Show SMILES Fc1ccc(cc1)-c1ccncc1\C=C\C(=O)Nc1ccc(CCc2nnco2)cc1 Show InChI InChI=1S/C24H19FN4O2/c25-20-7-4-18(5-8-20)22-13-14-26-15-19(22)6-11-23(30)28-21-9-1-17(2-10-21)3-12-24-29-27-16-31-24/h1-2,4-11,13-16H,3,12H2,(H,28,30)/b11-6+	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Displacement of Kinase tracer 236 from GST-fused CDK19/cyclin C (unknown origin) after 60 mins by TR-FRET assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529876 (CHEMBL4472053) Show SMILES Fc1ccc2nccc(Nc3ccccc3F)c2c1 Show InChI InChI=1S/C15H10F2N2/c16-10-5-6-13-11(9-10)14(7-8-18-13)19-15-4-2-1-3-12(15)17/h1-9H,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length GST/His-fused CDK8/CycC expressed in Sf9 insect cells using RBER-IRStide as substrate after 1 hr in prese...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM50529876 (CHEMBL4472053) Show SMILES Fc1ccc2nccc(Nc3ccccc3F)c2c1 Show InChI InChI=1S/C15H10F2N2/c16-10-5-6-13-11(9-10)14(7-8-18-13)19-15-4-2-1-3-12(15)17/h1-9H,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length GST/His-fused CDK8/CycC expressed in Sf9 insect cells using RBER-IRStide as substrate after 1 hr in prese...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM62810 (2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...) Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human His-tagged CDK8/cyclinC expressed in baculovirus expression system by Lantha screen assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (Homo sapiens (Human))	BDBM62810 (2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...) Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1 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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human His-tagged CDK8/cyclinC expressed in baculovirus expression system by Lantha screen assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM62810 (2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...) Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1 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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST/His-tagged CDK11 (1 to 502 residues)/cyclinC (1 to 283 residues) catalytic domain expressed in insect cells by La...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C/Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM62810 (2-amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydr...) Show SMILES CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1 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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST/His-tagged CDK11 (1 to 502 residues)/cyclinC (1 to 283 residues) catalytic domain expressed in insect cells by La...				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM31340 (2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...) Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human ERRB2 (K646 to V1225 residues) expressed in mammalian expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human PKACalpha (G10 to F351 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human ROCK1 (M1 to R415 residues) expressed in mammalian expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM31340 (2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...) Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human ROCK1 (M1 to R415 residues) expressed in mammalian expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK8/CyclinC (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM31340 (2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...) Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human ERRB2 (K646 to V1225 residues) expressed in mammalian expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM31340 (2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin...) Show SMILES COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 Show InChI InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-C (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Inhibition of CDK8/CyclinC (unknown origin)				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human ROCK2 (M1 to T431 residues) expressed in mammalian expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806 | US11471446, Compound DBA-8) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human ROCK2 (M1 to T431 residues) expressed in mammalian expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806 | US11471446, Compound DBA-8) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806 | US11471446, Compound DBA-8) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50459994 (CHEMBL4226806 | US11471446, Compound DBA-8) Show SMILES N#Cc1ccc2ncnc(NCCc3ccccc3)c2c1 Show InChI InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human PKACalpha (G10 to F351 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50248631 (CHEMBL4080906) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C |r,t:21,23| Show InChI InChI=1S/C30H36N2O3/c1-28-10-8-21-15-23-26(33)27(34)24(32(2)3)16-29(23)11-12-30(21,35-29)25(28)7-6-22(28)19-5-4-18-9-13-31-17-20(18)14-19/h4-5,8-9,13-15,17,22,24-27,33-34H,6-7,10-12,16H2,1-3H3/t22-,24+,25-,26-,27-,28-,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
Shaoxing University Curated by ChEMBL					Assay Description Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assay				Eur J Med Chem 164: 77-91 (2019) Article DOI: 10.1016/j.ejmech.2018.11.076 BindingDB Entry DOI: 10.7270/Q25142PT
					More data for this Ligand-Target Pair				3D Structure (crystal)