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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-1' and Ligand = 'BDBM50138323'   
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-1


(Homo sapiens (Human))		BDBM50138323
PNG
((5S,8S)-3-[(S)-2-Carboxy-2-(2,4,6-trimethyl-benzen...)
Show SMILES COC(=O)N1C[C@]2(C[C@H]1CNc1ncc[nH]1)CC(=NO2)C(=O)NC[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O |c:19|
Show InChI InChI=1S/C25H33N7O8S/c1-14-7-15(2)20(16(3)8-14)41(37,38)31-19(22(34)35)12-28-21(33)18-10-25(40-30-18)9-17(32(13-25)24(36)39-4)11-29-23-26-5-6-27-23/h5-8,17,19,31H,9-13H2,1-4H3,(H,28,33)(H,34,35)(H2,26,27,29)/t17-,19-,25-/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 57n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated in an functional alpha-v beta-3 antagonism assay, involving adhesion of beta3-transfected 293 cells to fibrinogen (alpha-v beta-3 293 beta3...

Bioorg Med Chem Lett 14: 383-7 (2003)


BindingDB Entry DOI: 10.7270/Q2571BFX
More data for this
Ligand-Target Pair