Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'ferrante' and Initial = 'ma'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of 5HT3 receptor (unknown origin)				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430245 (CHEMBL2332479) Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CCCNC1 Show InChI InChI=1S/C21H22N2O/c24-21-13-19(17-8-2-1-3-9-17)18-10-4-5-11-20(18)23(21)15-16-7-6-12-22-14-16/h1-5,8-11,13,16,22H,6-7,12,14-15H2	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	210	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430232 (CHEMBL2332485) Show SMILES CN(C)CCCn1c2ccccc2cc(C#N)c1=O Show InChI InChI=1S/C15H17N3O/c1-17(2)8-5-9-18-14-7-4-3-6-12(14)10-13(11-16)15(18)19/h3-4,6-7,10H,5,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430233 (CHEMBL2332487) Show SMILES CN(C)CCCn1ccc(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C17H19N3O/c1-19(2)10-6-11-20-12-9-15(16(13-18)17(20)21)14-7-4-3-5-8-14/h3-5,7-9,12H,6,10-11H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430234 (CHEMBL2332491) Show SMILES CN(C)CCCCn1c2ccccc2c(cc1=O)-c1ccccc1 Show InChI InChI=1S/C21H24N2O/c1-22(2)14-8-9-15-23-20-13-7-6-12-18(20)19(16-21(23)24)17-10-4-3-5-11-17/h3-7,10-13,16H,8-9,14-15H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430235 (CHEMBL2332490) Show SMILES CN(C)CCn1c2ccccc2c(cc1=O)-c1ccccc1 Show InChI InChI=1S/C19H20N2O/c1-20(2)12-13-21-18-11-7-6-10-16(18)17(14-19(21)22)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430236 (CHEMBL2332482) Show SMILES O=c1c(C#N)c(-c2ccccc2)c2ccccc2n1CCCN1CCCC1 Show InChI InChI=1S/C23H23N3O/c24-17-20-22(18-9-2-1-3-10-18)19-11-4-5-12-21(19)26(23(20)27)16-8-15-25-13-6-7-14-25/h1-5,9-12H,6-8,13-16H2	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	9.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430237 (CHEMBL2332483) Show SMILES CCN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C22H23N3O/c1-3-24(2)14-9-15-25-20-13-8-7-12-18(20)21(19(16-23)22(25)26)17-10-5-4-6-11-17/h4-8,10-13H,3,9,14-15H2,1-2H3	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	4.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430238 (CHEMBL2332489) Show SMILES CN(C)CCCn1c2ccccc2c(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H22N2O/c1-21(2)13-8-14-22-19-12-7-6-11-17(19)18(15-20(22)23)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3	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	2.80E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430239 (CHEMBL2332475) Show SMILES Cc1ccccc1-c1cc(=O)n(CC2CCCNC2)c2ccccc12 Show InChI InChI=1S/C22H24N2O/c1-16-7-2-3-9-18(16)20-13-22(25)24(15-17-8-6-12-23-14-17)21-11-5-4-10-19(20)21/h2-5,7,9-11,13,17,23H,6,8,12,14-15H2,1H3	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	1.50E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430240 (CHEMBL2332474) Show SMILES COc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12 Show InChI InChI=1S/C22H24N2O2/c1-26-18-8-4-7-17(12-18)20-13-22(25)24(15-16-6-5-11-23-14-16)21-10-3-2-9-19(20)21/h2-4,7-10,12-13,16,23H,5-6,11,14-15H2,1H3	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	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	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	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430242 (CHEMBL2332481) Show SMILES CNCCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C20H19N3O/c1-22-12-7-13-23-18-11-6-5-10-16(18)19(17(14-21)20(23)24)15-8-3-2-4-9-15/h2-6,8-11,22H,7,12-13H2,1H3	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	900	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430243 (CHEMBL2332480) Show SMILES O=c1c(C#N)c(-c2ccccc2)c2ccccc2n1CC1CCCNC1 Show InChI InChI=1S/C22H21N3O/c23-13-19-21(17-8-2-1-3-9-17)18-10-4-5-11-20(18)25(22(19)26)15-16-7-6-12-24-14-16/h1-5,8-11,16,24H,6-7,12,14-15H2	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	460	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430246 (CHEMBL2332476) Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CN2CCC1CC2 |(72.27,-24.15,;70.94,-23.38,;70.94,-21.83,;69.6,-21.04,;69.59,-19.51,;70.93,-18.74,;70.93,-17.21,;69.6,-16.44,;68.26,-17.21,;68.27,-18.75,;68.26,-21.82,;66.92,-21.06,;65.59,-21.83,;65.59,-23.37,;66.93,-24.14,;68.25,-23.38,;69.59,-24.15,;69.59,-25.69,;68.25,-26.46,;66.93,-25.68,;65.6,-26.43,;65.58,-27.97,;66.91,-28.75,;68.26,-27.99,;67.11,-26.42,;66.35,-27.76,)| Show InChI InChI=1S/C23H24N2O/c26-23-14-21(18-6-2-1-3-7-18)20-8-4-5-9-22(20)25(23)16-19-15-24-12-10-17(19)11-13-24/h1-9,14,17,19H,10-13,15-16H2	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	150	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430247 (CHEMBL2332472) Show SMILES O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CCCNC1 Show InChI InChI=1S/C23H23N3O/c27-23-13-20(17-7-3-8-21-18(17)10-12-25-21)19-6-1-2-9-22(19)26(23)15-16-5-4-11-24-14-16/h1-3,6-10,12-13,16,24-25H,4-5,11,14-15H2	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	110	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430248 (CHEMBL2331566) Show SMILES CC(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12 Show InChI InChI=1S/C24H27N3O2/c1-17(28)26-15-18-6-4-8-20(12-18)22-13-24(29)27(16-19-7-5-11-25-14-19)23-10-3-2-9-21(22)23/h2-4,6,8-10,12-13,19,25H,5,7,11,14-16H2,1H3,(H,26,28)	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	100	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430249 (CHEMBL2332473) Show SMILES CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12 Show InChI InChI=1S/C23H27N3O3S/c1-30(28,29)25-15-17-6-4-8-19(12-17)21-13-23(27)26(16-18-7-5-11-24-14-18)22-10-3-2-9-20(21)22/h2-4,6,8-10,12-13,18,24-25H,5,7,11,14-16H2,1H3	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	77	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430250 (CHEMBL2332468) Show SMILES CC(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12 |(23.34,-47.59,;22,-46.82,;22,-45.28,;20.68,-47.59,;19.34,-46.82,;18.01,-47.59,;16.68,-46.82,;15.34,-47.59,;15.34,-49.13,;16.67,-49.89,;18.01,-49.13,;16.67,-51.42,;18.02,-52.21,;18.02,-53.76,;19.35,-54.54,;16.67,-54.53,;16.67,-56.07,;15.33,-56.84,;14,-56.06,;12.67,-56.82,;12.66,-58.36,;13.99,-59.14,;15.33,-58.37,;14.19,-56.81,;13.43,-58.14,;15.33,-53.76,;14,-54.53,;12.67,-53.75,;12.67,-52.21,;14,-51.44,;15.33,-52.2,)| Show InChI InChI=1S/C26H29N3O2/c1-18(30)27-15-19-5-4-6-21(13-19)24-14-26(31)29(25-8-3-2-7-23(24)25)17-22-16-28-11-9-20(22)10-12-28/h2-8,13-14,20,22H,9-12,15-17H2,1H3,(H,27,30)	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	32	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430251 (CHEMBL2332469) Show SMILES CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12 |(12.11,-47.63,;10.77,-46.86,;9.99,-45.52,;11.54,-45.52,;9.44,-47.63,;8.11,-46.86,;6.77,-47.63,;5.44,-46.86,;4.1,-47.64,;4.11,-49.17,;5.44,-49.94,;6.77,-49.17,;5.44,-51.47,;6.79,-52.25,;6.78,-53.81,;8.11,-54.58,;5.44,-54.58,;5.43,-56.12,;4.1,-56.88,;2.77,-56.1,;1.44,-56.86,;1.43,-58.4,;2.76,-59.18,;4.1,-58.42,;2.95,-56.85,;2.19,-58.19,;4.1,-53.8,;2.77,-54.57,;1.43,-53.8,;1.44,-52.25,;2.76,-51.48,;4.1,-52.25,)| Show InChI InChI=1S/C25H29N3O3S/c1-32(30,31)26-15-18-5-4-6-20(13-18)23-14-25(29)28(24-8-3-2-7-22(23)24)17-21-16-27-11-9-19(21)10-12-27/h2-8,13-14,19,21,26H,9-12,15-17H2,1H3	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	14	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430252 (CHEMBL2332470) Show SMILES O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CN2CCC1CC2 |(71.88,-38.9,;70.55,-38.12,;70.55,-36.57,;69.21,-35.78,;69.21,-34.25,;67.88,-33.49,;67.87,-31.95,;69.21,-31.17,;70.54,-31.94,;72,-31.47,;72.91,-32.71,;72.01,-33.96,;70.54,-33.48,;67.87,-36.56,;66.53,-35.8,;65.2,-36.57,;65.2,-38.11,;66.54,-38.88,;67.87,-38.12,;69.2,-38.89,;69.2,-40.43,;67.86,-41.2,;66.54,-40.42,;65.2,-41.18,;65.19,-42.72,;66.52,-43.5,;67.87,-42.73,;66.72,-41.17,;65.96,-42.5,)| Show InChI InChI=1S/C25H25N3O/c29-25-14-22(19-5-3-6-23-20(19)8-11-26-23)21-4-1-2-7-24(21)28(25)16-18-15-27-12-9-17(18)10-13-27/h1-8,11,14,17-18,26H,9-10,12-13,15-16H2	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	23	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	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	8.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch...				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430245 (CHEMBL2332479) Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CCCNC1 Show InChI InChI=1S/C21H22N2O/c24-21-13-19(17-8-2-1-3-9-17)18-10-4-5-11-20(18)23(21)15-16-7-6-12-22-14-16/h1-5,8-11,13,16,22H,6-7,12,14-15H2	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	2.50E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch...				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430244 (CHEMBL2332477) Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1 Show InChI InChI=1S/C20H20N2O2/c23-20-12-18(15-6-2-1-3-7-15)17-8-4-5-9-19(17)22(20)14-16-13-21-10-11-24-16/h1-9,12,16,21H,10-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch...				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430246 (CHEMBL2332476) Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CN2CCC1CC2 |(72.27,-24.15,;70.94,-23.38,;70.94,-21.83,;69.6,-21.04,;69.59,-19.51,;70.93,-18.74,;70.93,-17.21,;69.6,-16.44,;68.26,-17.21,;68.27,-18.75,;68.26,-21.82,;66.92,-21.06,;65.59,-21.83,;65.59,-23.37,;66.93,-24.14,;68.25,-23.38,;69.59,-24.15,;69.59,-25.69,;68.25,-26.46,;66.93,-25.68,;65.6,-26.43,;65.58,-27.97,;66.91,-28.75,;68.26,-27.99,;67.11,-26.42,;66.35,-27.76,)| Show InChI InChI=1S/C23H24N2O/c26-23-14-21(18-6-2-1-3-7-18)20-8-4-5-9-22(20)25(23)16-19-15-24-12-10-17(19)11-13-24/h1-9,14,17,19H,10-13,15-16H2	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	760	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch...				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430252 (CHEMBL2332470) Show SMILES O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CN2CCC1CC2 |(71.88,-38.9,;70.55,-38.12,;70.55,-36.57,;69.21,-35.78,;69.21,-34.25,;67.88,-33.49,;67.87,-31.95,;69.21,-31.17,;70.54,-31.94,;72,-31.47,;72.91,-32.71,;72.01,-33.96,;70.54,-33.48,;67.87,-36.56,;66.53,-35.8,;65.2,-36.57,;65.2,-38.11,;66.54,-38.88,;67.87,-38.12,;69.2,-38.89,;69.2,-40.43,;67.86,-41.2,;66.54,-40.42,;65.2,-41.18,;65.19,-42.72,;66.52,-43.5,;67.87,-42.73,;66.72,-41.17,;65.96,-42.5,)| Show InChI InChI=1S/C25H25N3O/c29-25-14-22(19-5-3-6-23-20(19)8-11-26-23)21-4-1-2-7-24(21)28(25)16-18-15-27-12-9-17(18)10-13-27/h1-8,11,14,17-18,26H,9-10,12-13,15-16H2	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	540	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch...				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430251 (CHEMBL2332469) Show SMILES CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12 |(12.11,-47.63,;10.77,-46.86,;9.99,-45.52,;11.54,-45.52,;9.44,-47.63,;8.11,-46.86,;6.77,-47.63,;5.44,-46.86,;4.1,-47.64,;4.11,-49.17,;5.44,-49.94,;6.77,-49.17,;5.44,-51.47,;6.79,-52.25,;6.78,-53.81,;8.11,-54.58,;5.44,-54.58,;5.43,-56.12,;4.1,-56.88,;2.77,-56.1,;1.44,-56.86,;1.43,-58.4,;2.76,-59.18,;4.1,-58.42,;2.95,-56.85,;2.19,-58.19,;4.1,-53.8,;2.77,-54.57,;1.43,-53.8,;1.44,-52.25,;2.76,-51.48,;4.1,-52.25,)| Show InChI InChI=1S/C25H29N3O3S/c1-32(30,31)26-15-18-5-4-6-20(13-18)23-14-25(29)28(24-8-3-2-7-22(23)24)17-21-16-27-11-9-19(21)10-12-27/h2-8,13-14,19,21,26H,9-12,15-17H2,1H3	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	260	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as area under the curve of acetylcholine-induced response by whole-cell patch...				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50430241 (CHEMBL2332488) Show SMILES CN(C)CCCn1c2ccccc2c(-c2ccccc2)c(C#N)c1=O Show InChI InChI=1S/C21H21N3O/c1-23(2)13-8-14-24-19-12-7-6-11-17(19)20(18(15-22)21(24)25)16-9-4-3-5-10-16/h3-7,9-12H,8,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at alpha4beta2 nAChR (unknown origin)				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430253 (CHEMBL2332471) Show SMILES Cc1ccc(cc1)-c1cc(=O)n(CC2CCCNC2)c2ccccc12 Show InChI InChI=1S/C22H24N2O/c1-16-8-10-18(11-9-16)20-13-22(25)24(15-17-5-4-12-23-14-17)21-7-3-2-6-19(20)21/h2-3,6-11,13,17,23H,4-5,12,14-15H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430254 (CHEMBL2332478) Show SMILES CN1CCCC(Cn2c3ccccc3c(-c3ccccc3)c(C#N)c2=O)C1 Show InChI InChI=1S/C23H23N3O/c1-25-13-7-8-17(15-25)16-26-21-12-6-5-11-19(21)22(20(14-24)23(26)27)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13,15-16H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430244 (CHEMBL2332477) Show SMILES O=c1cc(-c2ccccc2)c2ccccc2n1CC1CNCCO1 Show InChI InChI=1S/C20H20N2O2/c23-20-12-18(15-6-2-1-3-7-15)17-8-4-5-9-19(17)22(20)14-16-13-21-10-11-24-16/h1-9,12,16,21H,10-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430230 (CHEMBL2332484) Show SMILES CC(CN(C)C)Cn1c2ccccc2c(cc1=O)-c1ccccc1 Show InChI InChI=1S/C21H24N2O/c1-16(14-22(2)3)15-23-20-12-8-7-11-18(20)19(13-21(23)24)17-9-5-4-6-10-17/h4-13,16H,14-15H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430231 (CHEMBL2332486) Show SMILES CC(CCn1c2ccccc2c(cc1=O)-c1ccccc1)N(C)C Show InChI InChI=1S/C21H24N2O/c1-16(22(2)3)13-14-23-20-12-8-7-11-18(20)19(15-21(23)24)17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3	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	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair