Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM50270413'   

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))	BDBM50270413 (CHEMBL4097955) Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(on2)C2(C)CC2)ncn1 Show InChI InChI=1S/C22H22N6O3/c1-22(6-7-22)18-11-19(27-31-18)26-21(29)28-8-5-14-9-16(3-4-17(14)28)30-20-10-15(12-23-2)24-13-25-20/h3-5,8-11,13,23H,6-7,12H2,1-2H3,(H,26,27,29)	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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells				J Med Chem 61: 1622-1635 (2018) Article DOI: 10.1021/acs.jmedchem.7b01731 BindingDB Entry DOI: 10.7270/Q22F7QZM
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