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SMILES: OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NC(=O)CCc1ccccc1

InChI Key: InChIKey=XLOKAZDDMNDPRF-QHCPKHFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50083819   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083819
PNG
(2-(3-Phenyl-propionylamino)-3-({1-[3-(pyridin-2-yl...)
Show SMILES OC(=O)[C@H](CNC(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1)NC(=O)CCc1ccccc1
Show InChI InChI=1S/C28H30N6O4/c35-26(13-10-20-7-2-1-3-8-20)33-23(28(37)38)19-31-27(36)21-11-12-24-22(17-21)18-32-34(24)16-6-15-30-25-9-4-5-14-29-25/h1-5,7-9,11-12,14,17-18,23H,6,10,13,15-16,19H2,(H,29,30)(H,31,36)(H,33,35)(H,37,38)/t23-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhbitory activity against beta3-transfected 293 cells using alpha-V beta-3 antagonism assay

J Med Chem 43: 41-58 (2000)


BindingDB Entry DOI: 10.7270/Q21G0KG2
More data for this
Ligand-Target Pair