Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 7279   

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))	BDBM186015 (US9163010, Formula II) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)N1CCOCCOCCOCC1 Show InChI InChI=1S/C24H28FN3O5/c1-15-21(14-19-18-13-17(25)3-4-20(18)27-23(19)29)26-16(2)22(15)24(30)28-5-7-31-9-11-33-12-10-32-8-6-28/h3-4,13-14,26H,5-12H2,1-2H3,(H,27,29)/b19-14-	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Beta Pharma, Inc. US Patent					Assay Description The effects of compound of formula II on inhibiting VEGFR were compared against that of sunitinib in vitro.				US Patent US9163010 (2015) BindingDB Entry DOI: 10.7270/Q2BC3XB9
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Beta Pharma, Inc. US Patent					Assay Description The effects of compound of formula II on inhibiting VEGFR were compared against that of sunitinib in vitro.				US Patent US9163010 (2015) BindingDB Entry DOI: 10.7270/Q2BC3XB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM186015 (US9163010, Formula II) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)N1CCOCCOCCOCC1 Show InChI InChI=1S/C24H28FN3O5/c1-15-21(14-19-18-13-17(25)3-4-20(18)27-23(19)29)26-16(2)22(15)24(30)28-5-7-31-9-11-33-12-10-32-8-6-28/h3-4,13-14,26H,5-12H2,1-2H3,(H,27,29)/b19-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Beta Pharma, Inc. US Patent					Assay Description The effects of compound of formula II on inhibiting VEGFR were compared against that of sunitinib in vitro.				US Patent US9163010 (2015) BindingDB Entry DOI: 10.7270/Q2BC3XB9
					More data for this Ligand-Target Pair