BDBM50404153 CHEMBL2052001

SMILES: CCCNC(=O)Nc1cccc(c1)-c1cccc(C[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)c1

InChI Key: InChIKey=KTQPBYGWLZAFSS-VWLOTQADSA-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 = 50404153   

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))	BDBM50404153 (CHEMBL2052001) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1cccc(C[C@H](NS(=O)(=O)c2c(C)cc(C)cc2C)C(O)=O)c1 Show InChI InChI=1S/C28H33N3O5S/c1-5-12-29-28(34)30-24-11-7-10-23(17-24)22-9-6-8-21(15-22)16-25(27(32)33)31-37(35,36)26-19(3)13-18(2)14-20(26)4/h6-11,13-15,17,25,31H,5,12,16H2,1-4H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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