BDBM50091733 (S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl-ethoxy)-1H-indole-2-carbonyl]-amino}-propionic acid::CHEMBL57040

SMILES: OC(=O)[C@H](CNC(=O)c1cc2cc(OCCC3CCNCC3)ccc2[nH]1)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=ZXCIVKBMKMAQIS-QHCPKHFHSA-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 = 50091733   

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))	BDBM50091733 ((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(OCCC3CCNCC3)ccc2[nH]1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H30N4O6S/c30-24(27-16-23(25(31)32)29-36(33,34)20-4-2-1-3-5-20)22-15-18-14-19(6-7-21(18)28-22)35-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26,28-29H,8-13,16H2,(H,27,30)(H,31,32)/t23-/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	0.0560	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))	BDBM50091733 ((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(OCCC3CCNCC3)ccc2[nH]1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H30N4O6S/c30-24(27-16-23(25(31)32)29-36(33,34)20-4-2-1-3-5-20)22-15-18-14-19(6-7-21(18)28-22)35-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26,28-29H,8-13,16H2,(H,27,30)(H,31,32)/t23-/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	1.30	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))	BDBM50091733 ((S)-2-Benzenesulfonylamino-3-{[5-(2-piperidin-4-yl...) Show SMILES OC(=O)[C@H](CNC(=O)c1cc2cc(OCCC3CCNCC3)ccc2[nH]1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H30N4O6S/c30-24(27-16-23(25(31)32)29-36(33,34)20-4-2-1-3-5-20)22-15-18-14-19(6-7-21(18)28-22)35-13-10-17-8-11-26-12-9-17/h1-7,14-15,17,23,26,28-29H,8-13,16H2,(H,27,30)(H,31,32)/t23-/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	10	n/a	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