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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 = 'BDBM50257256'   
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))		BDBM50257256
PNG
(CHEMBL4092853)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)[C@@H](C)O)C(C)C)C(C)C)C(N)=O)NC(C)=O)[C@@H](C)O)C(C)C |r|
Show InChI InChI=1S/C74H127N19O22S3/c1-34(2)29-47-66(107)83-46(25-28-116-15)62(103)78-31-53(98)88-58(40(12)94)72(113)89-55(36(5)6)70(111)79-39(11)61(102)81-43(19-16-17-26-75)63(104)82-44(21-23-52(76)97)64(105)86-48(30-35(3)4)67(108)91-57(38(9)10)74(115)93-27-18-20-51(93)69(110)87-49(60(77)101)32-117-118-33-50(80-42(14)96)68(109)92-59(41(13)95)73(114)90-56(37(7)8)71(112)84-45(65(106)85-47)22-24-54(99)100/h34-41,43-51,55-59,94-95H,16-33,75H2,1-15H3,(H2,76,97)(H2,77,101)(H,78,103)(H,79,111)(H,80,96)(H,81,102)(H,82,104)(H,83,107)(H,84,112)(H,85,106)(H,86,105)(H,87,110)(H,88,98)(H,89,113)(H,90,114)(H,91,108)(H,92,109)(H,99,100)/t39-,40+,41+,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-/m0/s1
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KEGG

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Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



UMR 8638 CNRS, Faculté de Pharmacie de Paris, Université Paris Descartes , Sorbonne Paris Cité, 4 Avenue de l'Observatoire, Paris 75006, France.

Curated by ChEMBL


Assay Description
Displacement of biotinylated VEGF-A (165 residues) from humanized recombinant C-terminal His-tagged VEGFR-1 extracellular domain expressed in baculov...

J Med Chem 60: 6598-6606 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00283
BindingDB Entry DOI: 10.7270/Q2S184ZB
More data for this
Ligand-Target Pair