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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 1' and Ligand = 'BDBM50223447'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))		BDBM50223447
PNG
(CHEMBL438299 | NGYEIEWYSWVTHGMY-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C96H124N22O26S/c1-7-49(4)81(117-88(136)66(29-31-79(129)130)108-89(137)69(35-52-18-24-58(122)25-19-52)107-77(126)44-103-84(132)62(97)40-75(98)124)95(143)109-65(28-30-78(127)128)86(134)112-71(37-54-41-101-63-14-10-8-12-60(54)63)91(139)111-70(36-53-20-26-59(123)27-21-53)90(138)115-74(46-119)93(141)113-72(38-55-42-102-64-15-11-9-13-61(55)64)92(140)116-80(48(2)3)94(142)118-82(50(5)120)96(144)114-73(39-56-43-100-47-105-56)85(133)104-45-76(125)106-67(32-33-145-6)87(135)110-68(83(99)131)34-51-16-22-57(121)23-17-51/h8-27,41-43,47-50,62,65-74,80-82,101-102,119-123H,7,28-40,44-46,97H2,1-6H3,(H2,98,124)(H2,99,131)(H,100,105)(H,103,132)(H,104,133)(H,106,125)(H,107,126)(H,108,137)(H,109,143)(H,110,135)(H,111,139)(H,112,134)(H,113,141)(H,114,144)(H,115,138)(H,116,140)(H,117,136)(H,118,142)(H,127,128)(H,129,130)/t49-,50-,62-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Université Paris Descartes

Curated by ChEMBL


Assay Description
Displacement of biotinylated VEGF165 from human recombinant VEGFR1 by chemiluminescent assay

J Med Chem 50: 5135-46 (2007)


Article DOI: 10.1021/jm0706970
BindingDB Entry DOI: 10.7270/Q2125SDD
More data for this
Ligand-Target Pair