BDBM50108460 2-{3-[3'-((S)-2-Carboxy-1-phenyl-ethylsulfamoyl)-4'-methoxy-biphenyl-3-yl]-ureido}-3H-benzoimidazol-1-ium

SMILES: COc1ccc(cc1S(=O)(=O)N[C@@H](CC(O)=O)c1ccccc1)-c1cccc(NC(=O)Nc2[nH]c3ccccc3[nH+]2)c1

InChI Key: InChIKey=DKCBOEVMYBPSHB-VWLOTQADSA-O

Data: 2 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 2 hits for monomerid = 50108460   

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))	BDBM50108460 (2-{3-[3'-((S)-2-Carboxy-1-phenyl-ethylsulfamoyl)-4...) Show SMILES COc1ccc(cc1S(=O)(=O)N[C@@H](CC(O)=O)c1ccccc1)-c1cccc(NC(=O)Nc2[nH]c3ccccc3[nH+]2)c1 Show InChI InChI=1S/C30H27N5O6S/c1-41-26-15-14-21(17-27(26)42(39,40)35-25(18-28(36)37)19-8-3-2-4-9-19)20-10-7-11-22(16-20)31-30(38)34-29-32-23-12-5-6-13-24(23)33-29/h2-17,25,35H,18H2,1H3,(H,36,37)(H3,31,32,33,34,38)/p+1/t25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description In vitro activity in an vitronectin receptor (alpha v beta3) scintillation bead assay using 125-I labelled echistatin as a radioligand				Bioorg Med Chem Lett 12: 205-8 (2001) BindingDB Entry DOI: 10.7270/Q27945T7
					More data for this Ligand-Target Pair
ITGAV/ITGB3 (Homo sapiens (Human))	BDBM50108460 (2-{3-[3'-((S)-2-Carboxy-1-phenyl-ethylsulfamoyl)-4...) Show SMILES COc1ccc(cc1S(=O)(=O)N[C@@H](CC(O)=O)c1ccccc1)-c1cccc(NC(=O)Nc2[nH]c3ccccc3[nH+]2)c1 Show InChI InChI=1S/C30H27N5O6S/c1-41-26-15-14-21(17-27(26)42(39,40)35-25(18-28(36)37)19-8-3-2-4-9-19)20-10-7-11-22(16-20)31-30(38)34-29-32-23-12-5-6-13-24(23)33-29/h2-17,25,35H,18H2,1H3,(H,36,37)(H3,31,32,33,34,38)/p+1/t25-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description In vitro activity in an vitronectin receptor (alpha v beta3) scintillation bead assay using 125-I labelled echistatin as a radioligand				Bioorg Med Chem Lett 12: 205-8 (2001) BindingDB Entry DOI: 10.7270/Q27945T7
					More data for this Ligand-Target Pair