Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'ondachi' and Initial = 'pw'   

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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM184561 (US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...) Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.00900	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM50143320 ((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...) Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0180	-61.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM184561 (US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...) Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.0210	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM184561 (US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...) Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.0220	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM50395218 (CHEMBL2164666 | US9150581, RTI-7527-192) Show SMILES Fc1ncc(cc1-c1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC2CCC1N2 |THB:4:20:23.24:26| Show InChI InChI=1S/C18H16F4N2O2S/c19-17-15(7-11(9-23-17)14-8-12-3-6-16(14)24-12)10-1-4-13(5-2-10)27(25,26)18(20,21)22/h1-2,4-5,7,9,12,14,16,24H,3,6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0300	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221044 (US9284322, Table 6, Compound 10) Show SMILES COc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21| Show InChI InChI=1S/C17H18FN3O/c1-22-16-7-10(4-5-19-16)14-6-11(9-20-17(14)18)13-8-12-2-3-15(13)21-12/h4-7,9,12-13,15,21H,2-3,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	-59.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221036 (US9284322, Table 6, Compound 2) Show SMILES Fc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20| Show InChI InChI=1S/C16H15F2N3/c17-15-4-1-9(7-19-15)13-5-10(8-20-16(13)18)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0490	-58.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221037 (US9284322, Table 6, Compound 3) Show SMILES Fc1ncc(cc1-c1ccc(Cl)nc1)C1CC2CCC1N2 |THB:4:14:17.18:20| Show InChI InChI=1S/C16H15ClFN3/c17-15-4-1-9(7-19-15)13-5-10(8-20-16(13)18)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0630	-58.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221041 (US9284322, Table 6, Compound 7) Show SMILES Fc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20| Show InChI InChI=1S/C16H15F2N3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0670	-58.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM86805 (CAS_45263788 | NSC_45263788 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2 |TLB:4:14:17.18:20| Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0730	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (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 UniProtKB/SwissProt 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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (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 UniProtKB/SwissProt 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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM50395217 (CHEMBL2164667 | US9150581, RTI-7527-168) Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22| Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	0.120	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221048 (US9284322, varenicline | US9303017, Varenicline) Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB US Patent	0.120	-56.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221040 (US9284322, Table 6, Compound 6) Show SMILES Fc1ncc(cc1-c1ccncc1)C1CC2CCC1N2 |THB:4:13:16.17:19| Show InChI InChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-56.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221045 (US9284322, Table 7, Compound 1) Show SMILES C1CC2NC1CC2c1cncc(c1)-c1cncnc1 |THB:7:6:0.1:3| Show InChI InChI=1S/C15H16N4/c1-2-15-14(4-13(1)19-15)11-3-10(5-16-6-11)12-7-17-9-18-8-12/h3,5-9,13-15,19H,1-2,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.120	-56.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221043 (US9284322, Table 6, Compound 9) Show SMILES Nc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20| Show InChI InChI=1S/C16H17FN4/c17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	-56.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221039 (US9284322, Table 6, Compound 5) Show SMILES COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21| Show InChI InChI=1S/C17H18FN3O/c1-22-16-5-2-10(8-19-16)14-6-11(9-20-17(14)18)13-7-12-3-4-15(13)21-12/h2,5-6,8-9,12-13,15,21H,3-4,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.130	-56.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (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 UniProtKB/SwissProt 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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) Show SMILES Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2 |TLB:4:15:21:19.18| Show InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.190	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM86806 (CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19| Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.240	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM86806 (CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19| Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.240	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221038 (US9284322, Table 6, Compound 4) Show SMILES Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20| Show InChI InChI=1S/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.25	-54.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM86806 (CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19| Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.260	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221049 (US9284322, Table 7, Compound 3) Show SMILES Clc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19| Show InChI InChI=1S/C15H15ClN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.320	-54.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221035 (US9284322, Table 6, Compound 1) Show SMILES Fc1ncc(cc1-c1cccnc1)C1CC2CCC1N2 |THB:4:13:16.17:19| Show InChI InChI=1S/C16H16FN3/c17-16-14(10-2-1-5-18-8-10)6-11(9-19-16)13-7-12-3-4-15(13)20-12/h1-2,5-6,8-9,12-13,15,20H,3-4,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.350	-54.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM184563 (US9150581, RTI-7527-169) Show SMILES NC(=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22| Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-2-1-3-11(6-10)18(20)23)7-12(9-21-17)14-8-13-4-5-16(14)22-13/h1-3,6-7,9,13-14,16,22H,4-5,8H2,(H2,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.360	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM50395221 (CHEMBL2164663 | US9150581, RTI-7527-153) Show SMILES Fc1ncc(cc1-c1ccc(cc1)C(F)(F)F)C1CC2CCC1N2 |THB:4:17:20.21:23| Show InChI InChI=1S/C18H16F4N2/c19-17-15(10-1-3-12(4-2-10)18(20,21)22)7-11(9-23-17)14-8-13-5-6-16(14)24-13/h1-4,7,9,13-14,16,24H,5-6,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.440	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM184560 (US9150581, RTI-7527-107) Show SMILES Fc1ncc(cc1-c1cccc(c1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	0.530	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221046 (US9284322, Table 7, Compound 2) Show SMILES Fc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19| Show InChI InChI=1S/C15H15FN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.840	-51.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2) (Rattus norvegicus (Rat))	BDBM50395219 (CHEMBL2164665 | US9150581, RTI-7527-193) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C17H18FN3O2S/c18-17-15(10-1-4-13(5-2-10)24(19,22)23)7-11(9-20-17)14-8-12-3-6-16(14)21-12/h1-2,4-5,7,9,12,14,16,21H,3,6,8H2,(H2,19,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.940	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
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM221042 (US9284322, Table 6, Compound 8) Show SMILES Fc1ncc(cc1-c1ccnc(Cl)c1)C1CC2CCC1N2 |THB:4:14:17.18:20| Show InChI InChI=1S/C16H15ClFN3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.18	-51.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Isoform Alpha-4-2 of Neuronal acetylcholine receptor subunit alpha-4 (Alpha-4-2)/Neuronal acetylcholine receptor subunit beta-2 (Rattus norvegicus (Rat))	BDBM50004108 ((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...) Show SMILES CN1CCCC1c1cccnc1 Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	1.5	-50.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4° C.) ...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM221045 (US9284322, Table 7, Compound 1) Show SMILES C1CC2NC1CC2c1cncc(c1)-c1cncnc1 |THB:7:6:0.1:3| Show InChI InChI=1S/C15H16N4/c1-2-15-14(4-13(1)19-15)11-3-10(5-16-6-11)12-7-17-9-18-8-12/h3,5-9,13-15,19H,1-2,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	32.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM221048 (US9284322, varenicline | US9303017, Varenicline) Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	US Patent	32.5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM221049 (US9284322, Table 7, Compound 3) Show SMILES Clc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19| Show InChI InChI=1S/C15H15ClN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM221039 (US9284322, Table 6, Compound 5) Show SMILES COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21| Show InChI InChI=1S/C17H18FN3O/c1-22-16-5-2-10(8-19-16)14-6-11(9-20-17(14)18)13-7-12-3-4-15(13)21-12/h2,5-6,8-9,12-13,15,21H,3-4,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	524	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM221043 (US9284322, Table 6, Compound 9) Show SMILES Nc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20| Show InChI InChI=1S/C16H17FN4/c17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	719	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM184563 (US9150581, RTI-7527-169) Show SMILES NC(=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22| Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-2-1-3-11(6-10)18(20)23)7-12(9-21-17)14-8-13-4-5-16(14)22-13/h1-3,6-7,9,13-14,16,22H,4-5,8H2,(H2,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	870	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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM221038 (US9284322, Table 6, Compound 4) Show SMILES Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20| Show InChI InChI=1S/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50395217 (CHEMBL2164667 | US9150581, RTI-7527-168) Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22| Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	1.87E+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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM221046 (US9284322, Table 7, Compound 2) Show SMILES Fc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19| Show InChI InChI=1S/C15H15FN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Research Triangle Institute US Patent					Assay Description Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...				US Patent US9284322 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KCV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM86806 (CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19| Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM86806 (CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19| Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM86805 (CAS_45263788 | NSC_45263788 | US9150581, RTI-7527-...) Show SMILES Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2 |TLB:4:14:17.18:20| Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50395219 (CHEMBL2164665 | US9150581, RTI-7527-193) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23| Show InChI InChI=1S/C17H18FN3O2S/c18-17-15(10-1-4-13(5-2-10)24(19,22)23)7-11(9-20-17)14-8-12-3-6-16(14)21-12/h1-2,4-5,7,9,12,14,16,21H,3,6,8H2,(H2,19,22,23)	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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50395218 (CHEMBL2164666 | US9150581, RTI-7527-192) Show SMILES Fc1ncc(cc1-c1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC2CCC1N2 |THB:4:20:23.24:26| Show InChI InChI=1S/C18H16F4N2O2S/c19-17-15(7-11(9-23-17)14-8-12-3-6-16(14)24-12)10-1-4-13(5-2-10)27(25,26)18(20,21)22/h1-2,4-5,7,9,12,14,16,24H,3,6,8H2	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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50171007 (4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...) Show SMILES Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2 |TLB:4:15:21:19.18| Show InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2	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 subunit alpha-7 (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 subunit alpha-7 (Rattus norvegicus (Rat))	BDBM184560 (US9150581, RTI-7527-107) Show SMILES Fc1ncc(cc1-c1cccc(c1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG 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

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