BDBM50125304 (S)-2-((S)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-ylmethanesulfonylamino)-3-[3'-(3-propyl-ureido)-biphenyl-4-yl]-propionic acid::CHEMBL10737

SMILES: CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)C(O)=O)cc1

InChI Key: InChIKey=CNNXQMKKHGGQNP-SOABOUKKSA-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 = 50125304   

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))	BDBM50125304 ((S)-2-((S)-7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1...) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)C[C@]23CCC(CC2=O)C3(C)C)C(O)=O)cc1 |THB:30:29:31:25.26| Show InChI InChI=1S/C29H37N3O6S/c1-4-14-30-27(36)31-23-7-5-6-21(16-23)20-10-8-19(9-11-20)15-24(26(34)35)32-39(37,38)18-29-13-12-22(17-25(29)33)28(29,2)3/h5-11,16,22,24,32H,4,12-15,17-18H2,1-3H3,(H,34,35)(H2,30,31,36)/t22?,24-,29+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	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