BDBM50223894 (S)-3-{3'-[(pyridine-2-carbonyl)-amino]-biphenyl-4-yl}-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL249576

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccccn2)c1)C(O)=O

InChI Key: InChIKey=IJHIUSVLXYPICD-MHZLTWQESA-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 = 50223894   

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))	BDBM50223894 ((S)-3-{3'-[(pyridine-2-carbonyl)-amino]-biphenyl-4...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccccn2)c1)C(O)=O Show InChI InChI=1S/C30H29N3O5S/c1-19-15-20(2)28(21(3)16-19)39(37,38)33-27(30(35)36)17-22-10-12-23(13-11-22)24-7-6-8-25(18-24)32-29(34)26-9-4-5-14-31-26/h4-16,18,27,33H,17H2,1-3H3,(H,32,34)(H,35,36)/t27-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Healthcare AG Curated by ChEMBL					Assay Description Binding affinity to integrin alphavbeta3 receptor				Bioorg Med Chem Lett 17: 6151-4 (2007) Article DOI: 10.1016/j.bmcl.2007.09.039 BindingDB Entry DOI: 10.7270/Q2KS6R8S
					More data for this Ligand-Target Pair