BDBM50395220 CHEMBL2164664::US9150581, RTI-7527-(+/-)-154

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2

InChI Key: InChIKey=UYWOLUOTIQZQMZ-UHFFFAOYSA-N

Data: 5 KI  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 6 hits for monomerid = 50395220   

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
Neuronal acetylcholine receptor subunit alpha-4 beta 2 (Rattus norvegicus (Rat))	BDBM50395220 (CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY US Patent					Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...				US Patent US9150581 (2015) BindingDB Entry DOI: 10.7270/Q2319TNR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2 (Rattus norvegicus (Rat))	BDBM50395220 (CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY US Patent					Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...				US Patent US9150581 (2015) BindingDB Entry DOI: 10.7270/Q2319TNR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2 (Rattus norvegicus (Rat))	BDBM50395220 (CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY US Patent					Assay Description The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...				US Patent US9150581 (2015) BindingDB Entry DOI: 10.7270/Q2319TNR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50395220 (CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY US Patent					Assay Description Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...				US Patent US9150581 (2015) BindingDB Entry DOI: 10.7270/Q2319TNR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50395220 (CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [125I]iodoMLA from rat cerebral cortex alpha7 nAChR at 50 nM incubated for 2 hrs by microplate scintillation assay				J Med Chem 55: 6512-22 (2012) Article DOI: 10.1021/jm300575y BindingDB Entry DOI: 10.7270/Q2CV4JV0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM50395220 (CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced response after 2 to 6 day...				J Med Chem 55: 6512-22 (2012) Article DOI: 10.1021/jm300575y BindingDB Entry DOI: 10.7270/Q2CV4JV0
					More data for this Ligand-Target Pair