BDBM50125312 (S)-3-{3'-[3-(2-Trifluoromethylsulfanyl-ethyl)-ureido]-biphenyl-4-yl}-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL10803

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

InChI Key: InChIKey=QXEWNYJTSFDFKB-DEOSSOPVSA-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 = 50125312   

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))	BDBM50125312 ((S)-3-{3'-[3-(2-Trifluoromethylsulfanyl-ethyl)-ure...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NCCSC(F)(F)F)c1)C(O)=O Show InChI InChI=1S/C28H30F3N3O5S2/c1-17-13-18(2)25(19(3)14-17)41(38,39)34-24(26(35)36)15-20-7-9-21(10-8-20)22-5-4-6-23(16-22)33-27(37)32-11-12-40-28(29,30)31/h4-10,13-14,16,24,34H,11-12,15H2,1-3H3,(H,35,36)(H2,32,33,37)/t24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	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