BDBM50223893 (S)-3-{3'-[(1H-pyrrole-2-carbonyl)-amino]-biphenyl-4-yl}-2-(2,4,6-trimethyl-benzenesulfonylamino)-propionic acid::CHEMBL249782

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccc[nH]2)c1)C(O)=O

InChI Key: InChIKey=GVYJQQSMQOOSHX-SANMLTNESA-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 = 50223893   

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))	BDBM50223893 ((S)-3-{3'-[(1H-pyrrole-2-carbonyl)-amino]-biphenyl...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccc[nH]2)c1)C(O)=O Show InChI InChI=1S/C29H29N3O5S/c1-18-14-19(2)27(20(3)15-18)38(36,37)32-26(29(34)35)16-21-9-11-22(12-10-21)23-6-4-7-24(17-23)31-28(33)25-8-5-13-30-25/h4-15,17,26,30,32H,16H2,1-3H3,(H,31,33)(H,34,35)/t26-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	33	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