BDBM50091728 (S)-2-Benzenesulfonylamino-3-{2-[(R)-2-oxo-3-(2-piperidin-4-yl-ethyl)-piperidin-1-yl]-acetylamino}-propionic acid::CHEMBL58790

SMILES: OC(=O)[C@H](CNC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=XOBFRYRGVGQXQH-ICSRJNTNSA-N

Data: 1 IC50  2 Kd

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 3 hits for monomerid = 50091728   

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))	BDBM50091728 ((S)-2-Benzenesulfonylamino-3-{2-[(R)-2-oxo-3-(2-pi...) Show SMILES OC(=O)[C@H](CNC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H34N4O6S/c28-21(25-15-20(23(30)31)26-34(32,33)19-6-2-1-3-7-19)16-27-14-4-5-18(22(27)29)9-8-17-10-12-24-13-11-17/h1-3,6-7,17-18,20,24,26H,4-5,8-16H2,(H,25,28)(H,30,31)/t18-,20-/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	n/a	15	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091728 ((S)-2-Benzenesulfonylamino-3-{2-[(R)-2-oxo-3-(2-pi...) Show SMILES OC(=O)[C@H](CNC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H34N4O6S/c28-21(25-15-20(23(30)31)26-34(32,33)19-6-2-1-3-7-19)16-27-14-4-5-18(22(27)29)9-8-17-10-12-24-13-11-17/h1-3,6-7,17-18,20,24,26H,4-5,8-16H2,(H,25,28)(H,30,31)/t18-,20-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to resting form of alpha IIb/beta3 integrin by flow cytometry using fluorescein ligand L-726,745 displacement from human platelets.				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50091728 ((S)-2-Benzenesulfonylamino-3-{2-[(R)-2-oxo-3-(2-pi...) Show SMILES OC(=O)[C@H](CNC(=O)CN1CCC[C@@H](CCC2CCNCC2)C1=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H34N4O6S/c28-21(25-15-20(23(30)31)26-34(32,33)19-6-2-1-3-7-19)16-27-14-4-5-18(22(27)29)9-8-17-10-12-24-13-11-17/h1-3,6-7,17-18,20,24,26H,4-5,8-16H2,(H,25,28)(H,30,31)/t18-,20-/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	n/a	0.780	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...				Bioorg Med Chem Lett 10: 1943-8 (2001) BindingDB Entry DOI: 10.7270/Q2GB2380
					More data for this Ligand-Target Pair