Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2969   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26467 (3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrim...) Show SMILES CN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H19N7O2S/c1-12-16-7-6-14(11-17(16)25-24-12)26(2)18-8-9-21-19(23-18)22-13-4-3-5-15(10-13)29(20,27)28/h3-11H,1-2H3,(H,24,25)(H2,20,27,28)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26477 (5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...) Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26478 (6,7-dimethoxy-N-(3-methyl-1H-indazol-6-yl)quinazol...) Show SMILES COc1cc2ncnc(Nc3ccc4c(C)n[nH]c4c3)c2cc1OC Show InChI InChI=1S/C18H17N5O2/c1-10-12-5-4-11(6-15(12)23-22-10)21-18-13-7-16(24-2)17(25-3)8-14(13)19-9-20-18/h4-9H,1-3H3,(H,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26470 (3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)...) Show SMILES CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C26H25N7O2S/c1-18-23-12-11-21(16-24(23)31-33(18)17-19-7-4-3-5-8-19)32(2)25-13-14-28-26(30-25)29-20-9-6-10-22(15-20)36(27,34)35/h3-16H,17H2,1-2H3,(H2,27,34,35)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26469 (3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26479 (4-N-(3-methyl-1H-indazol-6-yl)-2-N-(3,4,5-trimetho...) Show SMILES COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26476 (5-({2-[(3-bromophenyl)amino]pyrimidin-4-yl}amino)-...) Show SMILES Cc1ccc(Nc2ccnc(Nc3cccc(Br)c3)n2)cc1O Show InChI InChI=1S/C17H15BrN4O/c1-11-5-6-14(10-15(11)23)20-16-7-8-19-17(22-16)21-13-4-2-3-12(18)9-13/h2-10,23H,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26471 (3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrim...) Show SMILES CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H19N7O2S/c1-25-12-13-6-7-15(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-14-4-3-5-16(10-14)29(20,27)28/h3-12H,1-2H3,(H2,20,27,28)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26473 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(meth...) Show SMILES CN(c1ccc2n(C)c(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-23-17-12-15(7-8-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26474 (5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26468 (3-({4-[(1,3-dimethyl-1H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)27(3)25-13)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26472 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...) Show SMILES CN(c1ccc2nc(C)n(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-23-17-8-7-15(12-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26475 (2-N,4-N-bis(3-bromophenyl)-5-fluoropyrimidine-2,4-...) Show SMILES Fc1cnc(Nc2cccc(Br)c2)nc1Nc1cccc(Br)c1 Show InChI InChI=1S/C16H11Br2FN4/c17-10-3-1-5-12(7-10)21-15-14(19)9-20-16(23-15)22-13-6-2-4-11(18)8-13/h1-9H,(H2,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.5	22
GSK					Assay Description The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM26472 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...) Show SMILES CN(c1ccc2nc(C)n(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-23-17-8-7-15(12-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM26468 (3-({4-[(1,3-dimethyl-1H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)27(3)25-13)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM26471 (3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrim...) Show SMILES CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H19N7O2S/c1-25-12-13-6-7-15(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-14-4-3-5-16(10-14)29(20,27)28/h3-12H,1-2H3,(H2,20,27,28)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26467 (3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrim...) Show SMILES CN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H19N7O2S/c1-12-16-7-6-14(11-17(16)25-24-12)26(2)18-8-9-21-19(23-18)22-13-4-3-5-15(10-13)29(20,27)28/h3-11H,1-2H3,(H,24,25)(H2,20,27,28)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26468 (3-({4-[(1,3-dimethyl-1H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)27(3)25-13)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26469 (3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM26467 (3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrim...) Show SMILES CN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H19N7O2S/c1-12-16-7-6-14(11-17(16)25-24-12)26(2)18-8-9-21-19(23-18)22-13-4-3-5-15(10-13)29(20,27)28/h3-11H,1-2H3,(H,24,25)(H2,20,27,28)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26471 (3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrim...) Show SMILES CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C19H19N7O2S/c1-25-12-13-6-7-15(11-17(13)24-25)26(2)18-8-9-21-19(23-18)22-14-4-3-5-16(10-14)29(20,27)28/h3-12H,1-2H3,(H2,20,27,28)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26472 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(meth...) Show SMILES CN(c1ccc2nc(C)n(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-23-17-8-7-15(12-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM26469 (3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...) Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-17-8-7-15(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26473 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(meth...) Show SMILES CN(c1ccc2n(C)c(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-23-17-12-15(7-8-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM26473 (3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(meth...) Show SMILES CN(c1ccc2n(C)c(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C20H21N7O2S/c1-13-23-17-12-15(7-8-18(17)26(13)2)27(3)19-9-10-22-20(25-19)24-14-5-4-6-16(11-14)30(21,28)29/h4-12H,1-3H3,(H2,21,28,29)(H,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM26470 (3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)...) Show SMILES CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C26H25N7O2S/c1-18-23-12-11-21(16-24(23)31-33(18)17-19-7-4-3-5-8-19)32(2)25-13-14-28-26(30-25)29-20-9-6-10-22(15-20)36(27,34)35/h3-16H,17H2,1-2H3,(H2,27,34,35)(H,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM26470 (3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)...) Show SMILES CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C26H25N7O2S/c1-18-23-12-11-21(16-24(23)31-33(18)17-19-7-4-3-5-8-19)32(2)25-13-14-28-26(30-25)29-20-9-6-10-22(15-20)36(27,34)35/h3-16H,17H2,1-2H3,(H2,27,34,35)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description A range of concentrations of each compound in a 96-well plate were preincubated in buffer containing recombinant human CYP450 microsomal protein and ...				J Med Chem 51: 4632-40 (2008) Article DOI: 10.1021/jm800566m BindingDB Entry DOI: 10.7270/Q26971XR
					More data for this Ligand-Target Pair