BDBM50076060 (S)-2-Benzenesulfonylamino-3-(4-piperazin-1-ylmethyl-benzoylamino)-propionic acid::CHEMBL171105

SMILES: OC(=O)[C@H](CNC(=O)c1ccc(CN2CCNCC2)cc1)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=DJBVZZMODXEEJE-IBGZPJMESA-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 = 50076060   

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))	BDBM50076060 ((S)-2-Benzenesulfonylamino-3-(4-piperazin-1-ylmeth...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CN2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H26N4O5S/c26-20(17-8-6-16(7-9-17)15-25-12-10-22-11-13-25)23-14-19(21(27)28)24-31(29,30)18-4-2-1-3-5-18/h1-9,19,22,24H,10-15H2,(H,23,26)(H,27,28)/t19-/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	34	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