Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM50233954'   

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))	BDBM50233954 (CHEMBL4066412) Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCNC(=O)c1cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)cc(OCc2cn(CCCCN3C[C@@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N4)nn2)c1 |r| Show InChI InChI=1S/C81H114FN27O19/c1-4-105(23-17-87-79(124)70-46(2)61(93-47(70)3)35-57-56-31-49(82)13-14-58(56)98-72(57)117)24-26-126-28-27-125-25-18-88-71(116)48-29-54(127-44-52-42-108(103-101-52)21-7-5-19-106-40-50-32-64(106)77(122)99-59(11-9-15-89-80(83)84)73(118)91-38-66(110)96-62(36-68(112)113)75(120)94-50)34-55(30-48)128-45-53-43-109(104-102-53)22-8-6-20-107-41-51-33-65(107)78(123)100-60(12-10-16-90-81(85)86)74(119)92-39-67(111)97-63(37-69(114)115)76(121)95-51/h13-14,29-31,34-35,42-43,50-51,59-60,62-65,93H,4-12,15-28,32-33,36-41,44-45H2,1-3H3,(H,87,124)(H,88,116)(H,91,118)(H,92,119)(H,94,120)(H,95,121)(H,96,110)(H,97,111)(H,98,117)(H,99,122)(H,100,123)(H,112,113)(H,114,115)(H4,83,84,89)(H4,85,86,90)/b57-35-/t50-,51-,59-,60-,62-,63-,64-,65-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant human VEGFR2 expressed in Sf9 cells using Ulight-CAGAGAIETDKEYYTVKD as substrate measured after 60 mins by LANCE method				J Med Chem 60: 248-262 (2017) Article DOI: 10.1021/acs.jmedchem.6b01266 BindingDB Entry DOI: 10.7270/Q2CC12ZK
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