null

SMILES: COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2

InChI Key: InChIKey=GUUAJKBOCMZUJW-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50393246   

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-7 (Rattus norvegicus (Rat))	BDBM50393246 (CHEMBL2151440 | US10214524, Example 130 | US906793...) Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)| Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethylsulphon...				US Patent US10214524 (2019) BindingDB Entry DOI: 10.7270/Q2JH3PF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393246 (CHEMBL2151440 | US10214524, Example 130 | US906793...) Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)| Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	26	-9.61	n/a	n/a	n/a	n/a	n/a	7.4	4
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...				US Patent US9067931 (2015) BindingDB Entry DOI: 10.7270/Q2M907F1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50393246 (CHEMBL2151440 | US10214524, Example 130 | US906793...) Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)| Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Binding affinity to human recombinant 5HT3 receptor				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393246 (CHEMBL2151440 | US10214524, Example 130 | US906793...) Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)| Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethylsulphon...				US Patent US10214524 (2019) BindingDB Entry DOI: 10.7270/Q2JH3PF0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393246 (CHEMBL2151440 | US10214524, Example 130 | US906793...) Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)| Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from alpha7 nAChR in rat brain membranes				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393246 (CHEMBL2151440 | US10214524, Example 130 | US906793...) Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)| Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	62	-9.13	n/a	n/a	n/a	n/a	n/a	7.4	4
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...				US Patent US9067931 (2015) BindingDB Entry DOI: 10.7270/Q2M907F1
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393246 (CHEMBL2151440 | US10214524, Example 130 | US906793...) Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)| Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Agonist activity at rat recombinant alpha7 nAChR				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393246 (CHEMBL2151440 | US10214524, Example 130 | US906793...) Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)| Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
Targacept, Inc Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus oocyte				J Med Chem 54: 7943-61 (2011) Article DOI: 10.1021/jm2007672 BindingDB Entry DOI: 10.7270/Q29P32QP
					More data for this Ligand-Target Pair