Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 716   

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))	BDBM5307 (1-methanesulfonyl-4-[(4-{3-phenylimidazo[1,2-a]pyr...) Show SMILES CS(=O)(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H26N4O2S/c1-32(30,31)28-15-13-27(14-16-28)19-20-7-9-21(10-8-20)23-11-12-29-24(18-26-25(29)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3	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	13	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5308 (4-{3-phenylimidazo[1,2-a]pyridin-7-yl}-1-[3-(piper...) Show SMILES O=c1cc(ccn1CCCN1CCCCC1)-c1ccn2c(cnc2c1)-c1ccccc1 Show InChI InChI=1S/C26H28N4O/c31-26-19-23(10-16-29(26)15-7-14-28-12-5-2-6-13-28)22-11-17-30-24(20-27-25(30)18-22)21-8-3-1-4-9-21/h1,3-4,8-11,16-20H,2,5-7,12-15H2	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	28	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5301 (2-{7-phenylimidazo[1,2-a]pyridin-3-yl}-1,3-thiazol...) Show SMILES c1csc(n1)-c1cnc2cc(ccn12)-c1ccccc1 Show InChI InChI=1S/C16H11N3S/c1-2-4-12(5-3-1)13-6-8-19-14(11-18-15(19)10-13)16-17-7-9-20-16/h1-11H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5303 (4-{7-phenylimidazo[1,2-a]pyridin-3-yl}-1,2-thiazol...) Show SMILES c1nscc1-c1cnc2cc(ccn12)-c1ccccc1 Show InChI InChI=1S/C16H11N3S/c1-2-4-12(5-3-1)13-6-7-19-15(10-17-16(19)8-13)14-9-18-20-11-14/h1-11H	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	50	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5305 (N-methyl-4-[(4-{3-phenylimidazo[1,2-a]pyridin-7-yl...) Show SMILES CNC(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H27N5O/c1-27-26(32)30-15-13-29(14-16-30)19-20-7-9-21(10-8-20)23-11-12-31-24(18-28-25(31)17-23)22-5-3-2-4-6-22/h2-12,17-18H,13-16,19H2,1H3,(H,27,32)	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	52	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5311 (1-(3-{3-[(dimethylamino)methyl]piperidin-1-yl}prop...) Show SMILES CN(C)CC1CCCN(CCCn2ccc(cc2=O)-c2ccn3c(cnc3c2)-c2ccccc2)C1 Show InChI InChI=1S/C29H35N5O/c1-31(2)21-23-8-6-13-32(22-23)14-7-15-33-16-11-26(19-29(33)35)25-12-17-34-27(20-30-28(34)18-25)24-9-4-3-5-10-24/h3-5,9-12,16-20,23H,6-8,13-15,21-22H2,1-2H3	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	67	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5306 (4-[(4-{3-phenylimidazo[1,2-a]pyridin-7-yl}phenyl)m...) Show SMILES NC(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1 Show InChI InChI=1S/C25H25N5O/c26-25(31)29-14-12-28(13-15-29)18-19-6-8-20(9-7-19)22-10-11-30-23(17-27-24(30)16-22)21-4-2-1-3-5-21/h1-11,16-17H,12-15,18H2,(H2,26,31)	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	69	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5294 (3,6-diarylpyrazolo[1,5-a]pyrimidine 1 | 6-(4-metho...) Show SMILES COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1 Show InChI InChI=1S/C19H15N3O/c1-23-17-9-7-14(8-10-17)16-11-20-19-18(12-21-22(19)13-16)15-5-3-2-4-6-15/h2-13H,1H3	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	71	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5304 (1-{4-[(4-{3-phenylimidazo[1,2-a]pyridin-7-yl}pheny...) Show SMILES CC(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1 Show InChI InChI=1S/C26H26N4O/c1-20(31)29-15-13-28(14-16-29)19-21-7-9-22(10-8-21)24-11-12-30-25(18-27-26(30)17-24)23-5-3-2-4-6-23/h2-12,17-18H,13-16,19H2,1H3	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	77	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5310 (1-{3-[(2-methoxyethyl)(methyl)amino]propyl}-4-{3-p...) Show SMILES COCCN(C)CCCn1ccc(cc1=O)-c1ccn2c(cnc2c1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O2/c1-27(15-16-31-2)11-6-12-28-13-9-22(18-25(28)30)21-10-14-29-23(19-26-24(29)17-21)20-7-4-3-5-8-20/h3-5,7-10,13-14,17-19H,6,11-12,15-16H2,1-2H3	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	96	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5296 (3,7-diphenylimidazo[1,2-a]pyridine | imidazopyridi...) Show SMILES c1nc2cc(ccn2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H14N2/c1-3-7-15(8-4-1)17-11-12-21-18(14-20-19(21)13-17)16-9-5-2-6-10-16/h1-14H	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	98	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5302 (5-{7-phenylimidazo[1,2-a]pyridin-3-yl}-1,3-thiazol...) Show SMILES c1ncc(s1)-c1cnc2cc(ccn12)-c1ccccc1 Show InChI InChI=1S/C16H11N3S/c1-2-4-12(5-3-1)13-6-7-19-14(9-18-16(19)8-13)15-10-17-11-20-15/h1-11H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5295 (5-(4-methoxyphenyl)-1-phenyl-1H-1,3-benzodiazole |...) Show SMILES COc1ccc(cc1)-c1ccc2n(cnc2c1)-c1ccccc1 Show InChI InChI=1S/C20H16N2O/c1-23-18-10-7-15(8-11-18)16-9-12-20-19(13-16)21-14-22(20)17-5-3-2-4-6-17/h2-14H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5309 (1-(3-hydroxypropyl)-4-{3-phenylimidazo[1,2-a]pyrid...) Show SMILES OCCCn1ccc(cc1=O)-c1ccn2c(cnc2c1)-c1ccccc1 Show InChI InChI=1S/C21H19N3O2/c25-12-4-9-23-10-7-18(14-21(23)26)17-8-11-24-19(15-22-20(24)13-17)16-5-2-1-3-6-16/h1-3,5-8,10-11,13-15,25H,4,9,12H2	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	120	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5297 (4-{7-phenylimidazo[1,2-a]pyridin-3-yl}pyridine | i...) Show SMILES c1nc2cc(ccn2c1-c1ccncc1)-c1ccccc1 Show InChI InChI=1S/C18H13N3/c1-2-4-14(5-3-1)16-8-11-21-17(13-20-18(21)12-16)15-6-9-19-10-7-15/h1-13H	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	145	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5299 (2-methoxy-6-{7-phenylimidazo[1,2-a]pyridin-3-yl}py...) Show SMILES COc1cccc(n1)-c1cnc2cc(ccn12)-c1ccccc1 Show InChI InChI=1S/C19H15N3O/c1-23-19-9-5-8-16(21-19)17-13-20-18-12-15(10-11-22(17)18)14-6-3-2-4-7-14/h2-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5298 (3-{7-phenylimidazo[1,2-a]pyridin-3-yl}pyridine | i...) Show SMILES c1nc2cc(ccn2c1-c1cccnc1)-c1ccccc1 Show InChI InChI=1S/C18H13N3/c1-2-5-14(6-3-1)15-8-10-21-17(13-20-18(21)11-15)16-7-4-9-19-12-16/h1-13H	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	930	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM5300 (2-methoxy-5-{7-phenylimidazo[1,2-a]pyridin-3-yl}py...) Show SMILES COc1ccc(cn1)-c1cnc2cc(ccn12)-c1ccccc1 Show InChI InChI=1S/C19H15N3O/c1-23-19-8-7-16(12-21-19)17-13-20-18-11-15(9-10-22(17)18)14-5-3-2-4-6-14/h2-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...				Bioorg Med Chem Lett 14: 909-12 (2004) Article DOI: 10.1016/j.bmcl.2003.12.007 BindingDB Entry DOI: 10.7270/Q2JQ0Z63
					More data for this Ligand-Target Pair