BDBM50076055 (S)-3-[4-(4-Amino-butoxy)-benzoylamino]-2-benzenesulfonylamino-propionic acid::CHEMBL172674

SMILES: NCCCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O

InChI Key: InChIKey=WOXANKVQIDVKJN-SFHVURJKSA-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 = 50076055   

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))	BDBM50076055 ((S)-3-[4-(4-Amino-butoxy)-benzoylamino]-2-benzenes...) Show SMILES NCCCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C20H25N3O6S/c21-12-4-5-13-29-16-10-8-15(9-11-16)19(24)22-14-18(20(25)26)23-30(27,28)17-6-2-1-3-7-17/h1-3,6-11,18,23H,4-5,12-14,21H2,(H,22,24)(H,25,26)/t18-/m0/s1	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	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