BDBM50125302 (S)-3-[3'-(3-sec-Butyl-ureido)-biphenyl-4-yl]-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL10708

SMILES: CCC(C)NC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)cc1

InChI Key: InChIKey=HWQZFUYEJBHGFB-UQTORGHUSA-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 = 50125302   

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))	BDBM50125302 ((S)-3-[3'-(3-sec-Butyl-ureido)-biphenyl-4-yl]-2-(2...) Show SMILES CCC(C)NC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)cc1 Show InChI InChI=1S/C29H35N3O5S/c1-6-21(5)30-29(35)31-25-9-7-8-24(17-25)23-12-10-22(11-13-23)16-26(28(33)34)32-38(36,37)27-19(3)14-18(2)15-20(27)4/h7-15,17,21,26,32H,6,16H2,1-5H3,(H,33,34)(H2,30,31,35)/t21?,26-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	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
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