BDBM50125291 (S)-3-[3'-(3-Pyridin-2-ylmethyl-ureido)-biphenyl-4-yl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL274121

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NCc2ccccn2)c1)C(O)=O

InChI Key: InChIKey=DQCORFRHCMSBGJ-NDEPHWFRSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125291   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50125291 ((S)-3-[3'-(3-Pyridin-2-ylmethyl-ureido)-biphenyl-4...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NCc2ccccn2)c1)C(O)=O Show InChI InChI=1S/C31H32N4O5S/c1-20-15-21(2)29(22(3)16-20)41(39,40)35-28(30(36)37)17-23-10-12-24(13-11-23)25-7-6-9-26(18-25)34-31(38)33-19-27-8-4-5-14-32-27/h4-16,18,28,35H,17,19H2,1-3H3,(H,36,37)(H2,33,34,38)/t28-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Binding affinity towards vitronectin receptor (alpha V-beta3) was determined				Bioorg Med Chem Lett 13: 1071-4 (2003) BindingDB Entry DOI: 10.7270/Q2S46T44
					More data for this Ligand-Target Pair