Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 6721   

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))	BDBM149701 (US8975282, 8) Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cn2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C26H24N6O4/c1-16-23(26(35)32(31(16)2)18-6-4-3-5-7-18)25(34)29-21-11-10-20(15-28-21)36-19-12-13-27-22(14-19)30-24(33)17-8-9-17/h3-7,10-15,17H,8-9H2,1-2H3,(H,27,30,33)(H,28,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	3.20	n/a	n/a	n/a	7.0	25
Sunshine Lake Pharma Co., Ltd.; Calitor Sciences, LLC US Patent					Assay Description KDR (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activi...				US Patent US8975282 (2015) BindingDB Entry DOI: 10.7270/Q21V5CQD
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM149702 (US8975282, 10) Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc(c3)C(N)=O)c(F)c2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C24H20FN5O4/c1-14-21(24(33)30(29(14)2)16-6-4-3-5-7-16)23(32)28-15-8-9-20(18(25)12-15)34-17-10-11-27-19(13-17)22(26)31/h3-13H,1-2H3,(H2,26,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	450	n/a	n/a	n/a	7.0	25
Sunshine Lake Pharma Co., Ltd.; Calitor Sciences, LLC US Patent					Assay Description KDR (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activi...				US Patent US8975282 (2015) BindingDB Entry DOI: 10.7270/Q21V5CQD
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM149703 (US8975282, 11) Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C27H24FN5O4/c1-16-24(27(36)33(32(16)2)19-6-4-3-5-7-19)26(35)30-18-10-11-22(21(28)14-18)37-20-12-13-29-23(15-20)31-25(34)17-8-9-17/h3-7,10-15,17H,8-9H2,1-2H3,(H,30,35)(H,29,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	6.30	n/a	n/a	n/a	7.0	25
Sunshine Lake Pharma Co., Ltd.; Calitor Sciences, LLC US Patent					Assay Description KDR (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activi...				US Patent US8975282 (2015) BindingDB Entry DOI: 10.7270/Q21V5CQD
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM149704 (US8975282, 16) Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C27H25N5O4/c1-17-24(27(35)32(31(17)2)20-6-4-3-5-7-20)26(34)29-19-10-12-21(13-11-19)36-22-14-15-28-23(16-22)30-25(33)18-8-9-18/h3-7,10-16,18H,8-9H2,1-2H3,(H,29,34)(H,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	0.210	n/a	n/a	n/a	7.0	25
Sunshine Lake Pharma Co., Ltd.; Calitor Sciences, LLC US Patent					Assay Description Met (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 .mu.M KKKSPGEYVNIEFG, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activity appr...				US Patent US8975282 (2015) BindingDB Entry DOI: 10.7270/Q21V5CQD
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM149701 (US8975282, 8) Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cn2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C26H24N6O4/c1-16-23(26(35)32(31(16)2)18-6-4-3-5-7-18)25(34)29-21-11-10-20(15-28-21)36-19-12-13-27-22(14-19)30-24(33)17-8-9-17/h3-7,10-15,17H,8-9H2,1-2H3,(H,27,30,33)(H,28,29,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.40	n/a	n/a	n/a	7.0	25
Sunshine Lake Pharma Co., Ltd.; Calitor Sciences, LLC US Patent					Assay Description Met (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 .mu.M KKKSPGEYVNIEFG, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activity appr...				US Patent US8975282 (2015) BindingDB Entry DOI: 10.7270/Q21V5CQD
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM149702 (US8975282, 10) Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc(c3)C(N)=O)c(F)c2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C24H20FN5O4/c1-14-21(24(33)30(29(14)2)16-6-4-3-5-7-16)23(32)28-15-8-9-20(18(25)12-15)34-17-10-11-27-19(13-17)22(26)31/h3-13H,1-2H3,(H2,26,31)(H,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	200	n/a	n/a	n/a	7.0	25
Sunshine Lake Pharma Co., Ltd.; Calitor Sciences, LLC US Patent					Assay Description Met (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 .mu.M KKKSPGEYVNIEFG, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activity appr...				US Patent US8975282 (2015) BindingDB Entry DOI: 10.7270/Q21V5CQD
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM149703 (US8975282, 11) Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C27H24FN5O4/c1-16-24(27(36)33(32(16)2)19-6-4-3-5-7-19)26(35)30-18-10-11-22(21(28)14-18)37-20-12-13-29-23(15-20)31-25(34)17-8-9-17/h3-7,10-15,17H,8-9H2,1-2H3,(H,30,35)(H,29,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	0.5	n/a	n/a	n/a	7.0	25
Sunshine Lake Pharma Co., Ltd.; Calitor Sciences, LLC US Patent					Assay Description Met (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 .mu.M KKKSPGEYVNIEFG, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activity appr...				US Patent US8975282 (2015) BindingDB Entry DOI: 10.7270/Q21V5CQD
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM149704 (US8975282, 16) Show SMILES Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C27H25N5O4/c1-17-24(27(35)32(31(17)2)20-6-4-3-5-7-20)26(34)29-19-10-12-21(13-11-19)36-22-14-15-28-23(16-22)30-25(33)18-8-9-18/h3-7,10-16,18H,8-9H2,1-2H3,(H,29,34)(H,28,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	2.90	n/a	n/a	n/a	7.0	25
Sunshine Lake Pharma Co., Ltd.; Calitor Sciences, LLC US Patent					Assay Description KDR (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/mL myelin basic protein, 10 mM MgAcetate and [.gamma.-.sup.33P-ATP] (specific activi...				US Patent US8975282 (2015) BindingDB Entry DOI: 10.7270/Q21V5CQD
					More data for this Ligand-Target Pair