BDBM50108454 2-{3-[3'-(2-Carboxy-1-phenyl-ethylsulfamoyl)-biphenyl-3-yl]-ureido}-3H-benzoimidazol-1-ium

SMILES: OC(=O)CC(NS(=O)(=O)c1cccc(c1)-c1cccc(NC(=O)Nc2[nH]c3ccccc3[nH+]2)c1)c1ccccc1

InChI Key: InChIKey=JNSBZXVASWNXFL-UHFFFAOYSA-O

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 = 50108454   

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))	BDBM50108454 (2-{3-[3'-(2-Carboxy-1-phenyl-ethylsulfamoyl)-biphe...) Show SMILES OC(=O)CC(NS(=O)(=O)c1cccc(c1)-c1cccc(NC(=O)Nc2[nH]c3ccccc3[nH+]2)c1)c1ccccc1 Show InChI InChI=1S/C29H25N5O5S/c35-27(36)18-26(19-8-2-1-3-9-19)34-40(38,39)23-13-7-11-21(17-23)20-10-6-12-22(16-20)30-29(37)33-28-31-24-14-4-5-15-25(24)32-28/h1-17,26,34H,18H2,(H,35,36)(H3,30,31,32,33,37)/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Displacement of 125-I echistatin from Vitronectin receptor (alpha v beta3)				Bioorg Med Chem Lett 12: 205-8 (2001) BindingDB Entry DOI: 10.7270/Q27945T7
					More data for this Ligand-Target Pair