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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50083808'   
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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50083808
PNG
(3-(Methyl-{1-[3-(pyridin-2-ylamino)-propyl]-1H-ind...)
Show SMILES CN(C[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O)C(=O)c1ccc2n(CCCNc3ccccn3)ncc2c1
Show InChI InChI=1S/C29H34N6O5S/c1-19-14-20(2)27(21(3)15-19)41(39,40)33-24(29(37)38)18-34(4)28(36)22-9-10-25-23(16-22)17-32-35(25)13-7-12-31-26-8-5-6-11-30-26/h5-6,8-11,14-17,24,33H,7,12-13,18H2,1-4H3,(H,30,31)(H,37,38)/t24-/m0/s1
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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