Compile Data Set for Download or QSAR

Found 105 hits Enz. Inhib. hit(s) with all data for entry = 50020458   

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 1 (Homo sapiens (Human))	BDBM50214095 (CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214115 (CHEMBL429478 | N-((5-(3-(5-methoxy-1H-benzo[d]imid...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1 Show InChI InChI=1S/C22H21N7O/c1-3-23-9-13-6-14(11-24-10-13)15-7-17-20(28-29-21(17)25-12-15)22-26-18-5-4-16(30-2)8-19(18)27-22/h4-8,10-12,23H,3,9H2,1-2H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214108 (CHEMBL248712 | N-((5-(3-(5,6-difluoro-1H-benzo[d]i...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H17F2N7/c1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21/h3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214107 ((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES CNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cccc(COC)c4[nH]3)c2c1 Show InChI InChI=1S/C22H21N7O/c1-23-8-13-6-15(10-24-9-13)16-7-17-20(28-29-21(17)25-11-16)22-26-18-5-3-4-14(12-30-2)19(18)27-22/h3-7,9-11,23H,8,12H2,1-2H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214099 (CHEMBL400569 | N-((5-(3-(5-(4-methylpiperazin-1-yl...) Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C26H29N9/c1-3-27-13-17-10-18(15-28-14-17)19-11-21-24(32-33-25(21)29-16-19)26-30-22-5-4-20(12-23(22)31-26)35-8-6-34(2)7-9-35/h4-5,10-12,14-16,27H,3,6-9,13H2,1-2H3,(H,30,31)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214111 (4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C24H18N6O/c1-31-13-15-6-4-8-20-21(15)28-24(27-20)22-18-9-16(11-26-23(18)30-29-22)19-12-25-10-14-5-2-3-7-17(14)19/h2-12H,13H2,1H3,(H,27,28)(H,26,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214119 (CHEMBL400568 | N-((5-(3-(4-(methoxymethyl)-1H-benz...) Show SMILES CCCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4cccc(COC)c4[nH]3)c2c1 Show InChI InChI=1S/C24H25N7O/c1-3-7-25-10-15-8-17(12-26-11-15)18-9-19-22(30-31-23(19)27-13-18)24-28-20-6-4-5-16(14-32-2)21(20)29-24/h4-6,8-9,11-13,25H,3,7,10,14H2,1-2H3,(H,28,29)(H,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214110 (4-(3-(5-morpholino-1H-benzo[d]imidazol-2-yl)-1H-py...) Show SMILES C1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H21N7O/c1-2-4-19-16(3-1)13-27-15-21(19)17-11-20-24(31-32-25(20)28-14-17)26-29-22-6-5-18(12-23(22)30-26)33-7-9-34-10-8-33/h1-6,11-15H,7-10H2,(H,29,30)(H,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214117 (CHEMBL400906 | N-methyl(5-(3-(5-(trifluoromethoxy)...) Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H16F3N7O/c1-25-7-11-4-12(9-26-8-11)13-5-15-18(30-31-19(15)27-10-13)20-28-16-3-2-14(6-17(16)29-20)32-21(22,23)24/h2-6,8-10,25H,7H2,1H3,(H,28,29)(H,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214098 (CHEMBL401064 | N-((2-(5-(isoquinolin-4-yl)-1H-pyra...) Show SMILES CC(C)NCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H23N7/c1-15(2)28-12-17-7-5-9-22-23(17)31-26(30-22)24-20-10-18(13-29-25(20)33-32-24)21-14-27-11-16-6-3-4-8-19(16)21/h3-11,13-15,28H,12H2,1-2H3,(H,30,31)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214120 (4-(3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidaz...) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H24N8/c1-34-8-10-35(11-9-34)19-6-7-23-24(13-19)31-27(30-23)25-21-12-18(15-29-26(21)33-32-25)22-16-28-14-17-4-2-3-5-20(17)22/h2-7,12-16H,8-11H2,1H3,(H,30,31)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202760 (4-(3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]...) Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C22H14N6/c1-2-6-15-13(5-1)10-23-12-17(15)14-9-16-20(27-28-21(16)24-11-14)22-25-18-7-3-4-8-19(18)26-22/h1-12H,(H,25,26)(H,24,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214099 (CHEMBL400569 | N-((5-(3-(5-(4-methylpiperazin-1-yl...) Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C26H29N9/c1-3-27-13-17-10-18(15-28-14-17)19-11-21-24(32-33-25(21)29-16-19)26-30-22-5-4-20(12-23(22)31-26)35-8-6-34(2)7-9-35/h4-5,10-12,14-16,27H,3,6-9,13H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214116 (3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cccnc1 Show InChI InChI=1S/C20H16N6O/c1-27-11-13-4-2-6-16-17(13)24-20(23-16)18-15-8-14(10-22-19(15)26-25-18)12-5-3-7-21-9-12/h2-10H,11H2,1H3,(H,23,24)(H,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214096 (CHEMBL249502 | N-isopropyl-2-(5-(isoquinolin-4-yl)...) Show SMILES CC(C)NC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H21N7O/c1-14(2)29-26(34)18-8-5-9-21-22(18)31-25(30-21)23-19-10-16(12-28-24(19)33-32-23)20-13-27-11-15-6-3-4-7-17(15)20/h3-14H,1-2H3,(H,29,34)(H,30,31)(H,28,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214102 ((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin...) Show SMILES OCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C23H16N6O/c30-12-14-5-3-7-19-20(14)27-23(26-19)21-17-8-15(10-25-22(17)29-28-21)18-11-24-9-13-4-1-2-6-16(13)18/h1-11,30H,12H2,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214113 (CHEMBL251739 | N,N-diethyl-2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)C(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H23N7O/c1-3-34(4-2)27(35)19-10-7-11-22-23(19)31-26(30-22)24-20-12-17(14-29-25(20)33-32-24)21-15-28-13-16-8-5-6-9-18(16)21/h5-15H,3-4H2,1-2H3,(H,30,31)(H,29,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50214111 (4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C24H18N6O/c1-31-13-15-6-4-8-20-21(15)28-24(27-20)22-18-9-16(11-26-23(18)30-29-22)19-12-25-10-14-5-2-3-7-17(14)19/h2-12H,13H2,1H3,(H,27,28)(H,26,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214097 (4-(3-(4-methyl-1H-benzo[d]imidazol-2-yl)-1H-pyrazo...) Show SMILES Cc1cccc2[nH]c(nc12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C23H16N6/c1-13-5-4-8-19-20(13)27-23(26-19)21-17-9-15(11-25-22(17)29-28-21)18-12-24-10-14-6-2-3-7-16(14)18/h2-12H,1H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214106 (4-(3-(4-(isopropoxymethyl)-1H-benzo[d]imidazol-2-y...) Show SMILES CC(C)OCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H22N6O/c1-15(2)33-14-17-7-5-9-22-23(17)30-26(29-22)24-20-10-18(12-28-25(20)32-31-24)21-13-27-11-16-6-3-4-8-19(16)21/h3-13,15H,14H2,1-2H3,(H,29,30)(H,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214117 (CHEMBL400906 | N-methyl(5-(3-(5-(trifluoromethoxy)...) Show SMILES CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H16F3N7O/c1-25-7-11-4-12(9-26-8-11)13-5-15-18(30-31-19(15)27-10-13)20-28-16-3-2-14(6-17(16)29-20)32-21(22,23)24/h2-6,8-10,25H,7H2,1H3,(H,28,29)(H,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214108 (CHEMBL248712 | N-((5-(3-(5,6-difluoro-1H-benzo[d]i...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H17F2N7/c1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21/h3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214115 (CHEMBL429478 | N-((5-(3-(5-methoxy-1H-benzo[d]imid...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1 Show InChI InChI=1S/C22H21N7O/c1-3-23-9-13-6-14(11-24-10-13)15-7-17-20(28-29-21(17)25-12-15)22-26-18-5-4-16(30-2)8-19(18)27-22/h4-8,10-12,23H,3,9H2,1-2H3,(H,26,27)(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214106 (4-(3-(4-(isopropoxymethyl)-1H-benzo[d]imidazol-2-y...) Show SMILES CC(C)OCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H22N6O/c1-15(2)33-14-17-7-5-9-22-23(17)30-26(29-22)24-20-10-18(12-28-25(20)32-31-24)21-13-27-11-16-6-3-4-8-19(16)21/h3-13,15H,14H2,1-2H3,(H,29,30)(H,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214095 (CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214112 (3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncnc1 Show InChI InChI=1S/C19H15N7O/c1-27-9-11-3-2-4-15-16(11)24-19(23-15)17-14-5-12(8-22-18(14)26-25-17)13-6-20-10-21-7-13/h2-8,10H,9H2,1H3,(H,23,24)(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214105 (3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1ccncc1 Show InChI InChI=1S/C20H16N6O/c1-27-11-13-3-2-4-16-17(13)24-20(23-16)18-15-9-14(10-22-19(15)26-25-18)12-5-7-21-8-6-12/h2-10H,11H2,1H3,(H,23,24)(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214118 (CHEMBL249519 | N-((5-(3-(4-(methoxymethyl)-1H-benz...) Show SMILES CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cccc(COC)c5[nH]4)c3c2)c1C Show InChI InChI=1S/C24H25N7O/c1-4-25-9-17-10-26-12-19(14(17)2)16-8-18-22(30-31-23(18)27-11-16)24-28-20-7-5-6-15(13-32-3)21(20)29-24/h5-8,10-12,25H,4,9,13H2,1-3H3,(H,28,29)(H,27,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214114 ((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc(CN(C)C)c1 Show InChI InChI=1S/C23H23N7O/c1-30(2)12-14-7-16(10-24-9-14)17-8-18-21(28-29-22(18)25-11-17)23-26-19-6-4-5-15(13-31-3)20(19)27-23/h4-11H,12-13H2,1-3H3,(H,26,27)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214101 (4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-...) Show SMILES COCc1cccc2nc([nH]c12)-c1nn(C)c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C25H20N6O/c1-31-25-19(10-17(12-27-25)20-13-26-11-15-6-3-4-8-18(15)20)23(30-31)24-28-21-9-5-7-16(14-32-2)22(21)29-24/h3-13H,14H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214099 (CHEMBL400569 | N-((5-(3-(5-(4-methylpiperazin-1-yl...) Show SMILES CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C26H29N9/c1-3-27-13-17-10-18(15-28-14-17)19-11-21-24(32-33-25(21)29-16-19)26-30-22-5-4-20(12-23(22)31-26)35-8-6-34(2)7-9-35/h4-5,10-12,14-16,27H,3,6-9,13H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50202760 (4-(3-(1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]...) Show SMILES c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C22H14N6/c1-2-6-15-13(5-1)10-23-12-17(15)14-9-16-20(27-28-21(16)24-11-14)22-25-18-7-3-4-8-19(18)26-22/h1-12H,(H,25,26)(H,24,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214095 (CHEMBL248713 | CHEMBL511394 | N-((5-(3-(5-fluoro-1...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H18FN7/c1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21/h3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214116 (3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-5-(...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cccnc1 Show InChI InChI=1S/C20H16N6O/c1-27-11-13-4-2-6-16-17(13)24-20(23-16)18-15-8-14(10-22-19(15)26-25-18)12-5-3-7-21-9-12/h2-10H,11H2,1H3,(H,23,24)(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50214102 ((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin...) Show SMILES OCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C23H16N6O/c30-12-14-5-3-7-19-20(14)27-23(26-19)21-17-8-15(10-25-22(17)29-28-21)18-11-24-9-13-4-1-2-6-16(13)18/h1-11,30H,12H2,(H,26,27)(H,25,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214096 (CHEMBL249502 | N-isopropyl-2-(5-(isoquinolin-4-yl)...) Show SMILES CC(C)NC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H21N7O/c1-14(2)29-26(34)18-8-5-9-21-22(18)31-25(30-21)23-19-10-16(12-28-24(19)33-32-23)20-13-27-11-15-6-3-4-7-17(15)20/h3-14H,1-2H3,(H,29,34)(H,30,31)(H,28,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214108 (CHEMBL248712 | N-((5-(3-(5,6-difluoro-1H-benzo[d]i...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1 Show InChI InChI=1S/C21H17F2N7/c1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21/h3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214096 (CHEMBL249502 | N-isopropyl-2-(5-(isoquinolin-4-yl)...) Show SMILES CC(C)NC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H21N7O/c1-14(2)29-26(34)18-8-5-9-21-22(18)31-25(30-21)23-19-10-16(12-28-24(19)33-32-23)20-13-27-11-15-6-3-4-7-17(15)20/h3-14H,1-2H3,(H,29,34)(H,30,31)(H,28,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214111 (4-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)-...) Show SMILES COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C24H18N6O/c1-31-13-15-6-4-8-20-21(15)28-24(27-20)22-18-9-16(11-26-23(18)30-29-22)19-12-25-10-14-5-2-3-7-17(14)19/h2-12H,13H2,1H3,(H,27,28)(H,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50214109 (2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-...) Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C23H14N6O2/c30-23(31)15-6-3-7-18-19(15)27-22(26-18)20-16-8-13(10-25-21(16)29-28-20)17-11-24-9-12-4-1-2-5-14(12)17/h1-11H,(H,26,27)(H,30,31)(H,25,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214107 ((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES CNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cccc(COC)c4[nH]3)c2c1 Show InChI InChI=1S/C22H21N7O/c1-23-8-13-6-15(10-24-9-13)16-7-17-20(28-29-21(17)25-11-16)22-26-18-5-3-4-14(12-30-2)19(18)27-22/h3-7,9-11,23H,8,12H2,1-2H3,(H,26,27)(H,25,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214100 (CHEMBL249303 | N-ethyl-N-((2-(5-(isoquinolin-4-yl)...) Show SMILES CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H25N7/c1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22/h5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214098 (CHEMBL401064 | N-((2-(5-(isoquinolin-4-yl)-1H-pyra...) Show SMILES CC(C)NCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H23N7/c1-15(2)28-12-17-7-5-9-22-23(17)31-26(30-22)24-20-10-18(13-29-25(20)33-32-24)21-14-27-11-16-6-3-4-8-19(16)21/h3-11,13-15,28H,12H2,1-2H3,(H,30,31)(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214110 (4-(3-(5-morpholino-1H-benzo[d]imidazol-2-yl)-1H-py...) Show SMILES C1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C26H21N7O/c1-2-4-19-16(3-1)13-27-15-21(19)17-11-20-24(31-32-25(20)28-14-17)26-29-22-6-5-18(12-23(22)30-26)33-7-9-34-10-8-33/h1-6,11-15H,7-10H2,(H,29,30)(H,28,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214115 (CHEMBL429478 | N-((5-(3-(5-methoxy-1H-benzo[d]imid...) Show SMILES CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1 Show InChI InChI=1S/C22H21N7O/c1-3-23-9-13-6-14(11-24-10-13)15-7-17-20(28-29-21(17)25-12-15)22-26-18-5-4-16(30-2)8-19(18)27-22/h4-8,10-12,23H,3,9H2,1-2H3,(H,26,27)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50214120 (4-(3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidaz...) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H24N8/c1-34-8-10-35(11-9-34)19-6-7-23-24(13-19)31-27(30-23)25-21-12-18(15-29-26(21)33-32-25)22-16-28-14-17-4-2-3-5-20(17)22/h2-7,12-16H,8-11H2,1H3,(H,30,31)(H,29,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214107 ((5-(3-(4-(methoxymethyl)-1H-benzo[d]imidazol-2-yl)...) Show SMILES CNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cccc(COC)c4[nH]3)c2c1 Show InChI InChI=1S/C22H21N7O/c1-23-8-13-6-15(10-24-9-13)16-7-17-20(28-29-21(17)25-11-16)22-26-18-5-3-4-14(12-30-2)19(18)27-22/h3-7,9-11,23H,8,12H2,1-2H3,(H,26,27)(H,25,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50214120 (4-(3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidaz...) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12 Show InChI InChI=1S/C27H24N8/c1-34-8-10-35(11-9-34)19-6-7-23-24(13-19)31-27(30-23)25-21-12-18(15-29-26(21)33-32-25)22-16-28-14-17-4-2-3-5-20(17)22/h2-7,12-16H,8-11H2,1H3,(H,30,31)(H,29,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of RET				Bioorg Med Chem Lett 17: 4297-302 (2007) Article DOI: 10.1016/j.bmcl.2007.05.029 BindingDB Entry DOI: 10.7270/Q20C4VGJ
					More data for this Ligand-Target Pair

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