BDBM50004071 (S)-2-Phenylmethanesulfonylamino-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid::2-Phenylmethanesulfonylamino-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid::CHEMBL420966

SMILES: OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=IWAXDMYAVCCIQY-DEOSSOPVSA-N

Data: 2 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 2 hits for monomerid = 50004071   

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))	BDBM50004071 ((S)-2-Phenylmethanesulfonylamino-3-[4-(4-piperidin...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H34N2O5S/c28-25(29)24(27-33(30,31)19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-26-16-14-20/h1-3,7-12,20,24,26-27H,4-6,13-19H2,(H,28,29)/t24-/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	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.				J Med Chem 35: 4640-2 (1993) BindingDB Entry DOI: 10.7270/Q2SF2V44
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50004071 ((S)-2-Phenylmethanesulfonylamino-3-[4-(4-piperidin...) Show SMILES OC(=O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C25H34N2O5S/c28-25(29)24(27-33(30,31)19-22-7-2-1-3-8-22)18-21-9-11-23(12-10-21)32-17-5-4-6-20-13-15-26-16-14-20/h1-3,7-12,20,24,26-27H,4-6,13-19H2,(H,28,29)/t24-/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	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .				J Med Chem 37: 2537-51 (1994) BindingDB Entry DOI: 10.7270/Q2N878VF
					More data for this Ligand-Target Pair