Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM50269388'   

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))	BDBM50269388 (CHEMBL4083641) Show SMILES Cc1nc(-n2nc(Nc3ccc(cc3)N3CCN(CC3)C3CC4CCC3C4)nc2N)c2ccccc2n1 |THB:17:20:23.24:26| Show InChI InChI=1S/C28H33N9/c1-18-30-24-5-3-2-4-23(24)26(31-18)37-27(29)33-28(34-37)32-21-8-10-22(11-9-21)35-12-14-36(15-13-35)25-17-19-6-7-20(25)16-19/h2-5,8-11,19-20,25H,6-7,12-17H2,1H3,(H3,29,32,33,34)	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	n/a	n/a	104	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net. Curated by ChEMBL					Assay Description Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...				Bioorg Med Chem Lett 27: 3766-3771 (2017) Article DOI: 10.1016/j.bmcl.2017.06.071 BindingDB Entry DOI: 10.7270/Q26D5WH0
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