BDBM50076064 (S)-3-[4-(2-Amino-ethoxy)-benzoylamino]-2-benzenesulfonylamino-propionic acid::CHEMBL440743

SMILES: NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O

InChI Key: InChIKey=XMLAVUKCNCSDGW-INIZCTEOSA-N

Data: 1 IC50

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 = 50076064   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50076064 ((S)-3-[4-(2-Amino-ethoxy)-benzoylamino]-2-benzenes...) Show SMILES NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C18H21N3O6S/c19-10-11-27-14-8-6-13(7-9-14)17(22)20-12-16(18(23)24)21-28(25,26)15-4-2-1-3-5-15/h1-9,16,21H,10-12,19H2,(H,20,22)(H,23,24)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of glycoprotein IIb/III integrin mediated fibrinogen binding to activated platelets				Bioorg Med Chem Lett 9: 863-8 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1JSK
					More data for this Ligand-Target Pair