Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'duggan' and Initial = 'bm'   

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
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis				J Nat Prod 78: 1671-82 (2015) Article DOI: 10.1021/acs.jnatprod.5b00301 BindingDB Entry DOI: 10.7270/Q22F7Q76
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis				J Nat Prod 78: 1671-82 (2015) Article DOI: 10.1021/acs.jnatprod.5b00301 BindingDB Entry DOI: 10.7270/Q22F7Q76
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50108987 (CHEMBL3597331) Show SMILES COC[C@@H](COC(C)=O)N(C)C(=O)CC\C=C\CCCCC(Cl)CCCCCC(Cl)Cl |r| Show InChI InChI=1S/C23H40Cl3NO4/c1-19(28)31-18-21(17-30-3)27(2)23(29)16-12-7-5-4-6-9-13-20(24)14-10-8-11-15-22(25)26/h5,7,20-22H,4,6,8-18H2,1-3H3/b7-5+/t20?,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis				J Nat Prod 78: 1671-82 (2015) Article DOI: 10.1021/acs.jnatprod.5b00301 BindingDB Entry DOI: 10.7270/Q22F7Q76
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50108989 (CHEMBL3597332) Show SMILES C\C(CCCC\C=C\CC\C=C/C(=O)NC(CO)CO)=C/C=C/CCCC=C Show InChI InChI=1S/C24H39NO3/c1-3-4-5-6-11-14-17-22(2)18-15-12-9-7-8-10-13-16-19-24(28)25-23(20-26)21-27/h3,7-8,11,14,16-17,19,23,26-27H,1,4-6,9-10,12-13,15,18,20-21H2,2H3,(H,25,28)/b8-7+,14-11+,19-16-,22-17+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis				J Nat Prod 78: 1671-82 (2015) Article DOI: 10.1021/acs.jnatprod.5b00301 BindingDB Entry DOI: 10.7270/Q22F7Q76
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50108988 (CHEMBL3597330) Show SMILES COC[C@@H](COC(C)=O)N(C)C(=O)CC\C=C\CCCCC(Cl)CCCCCCCl |r| Show InChI InChI=1S/C23H41Cl2NO4/c1-20(27)30-19-22(18-29-3)26(2)23(28)16-12-7-5-4-6-10-14-21(25)15-11-8-9-13-17-24/h5,7,21-22H,4,6,8-19H2,1-3H3/b7-5+/t21?,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis				J Nat Prod 78: 1671-82 (2015) Article DOI: 10.1021/acs.jnatprod.5b00301 BindingDB Entry DOI: 10.7270/Q22F7Q76
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50108987 (CHEMBL3597331) Show SMILES COC[C@@H](COC(C)=O)N(C)C(=O)CC\C=C\CCCCC(Cl)CCCCCC(Cl)Cl |r| Show InChI InChI=1S/C23H40Cl3NO4/c1-19(28)31-18-21(17-30-3)27(2)23(29)16-12-7-5-4-6-9-13-20(24)14-10-8-11-15-22(25)26/h5,7,20-22H,4,6,8-18H2,1-3H3/b7-5+/t20?,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis				J Nat Prod 78: 1671-82 (2015) Article DOI: 10.1021/acs.jnatprod.5b00301 BindingDB Entry DOI: 10.7270/Q22F7Q76
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50108988 (CHEMBL3597330) Show SMILES COC[C@@H](COC(C)=O)N(C)C(=O)CC\C=C\CCCCC(Cl)CCCCCCCl |r| Show InChI InChI=1S/C23H41Cl2NO4/c1-20(27)30-19-22(18-29-3)26(2)23(28)16-12-7-5-4-6-10-14-21(25)15-11-8-9-13-17-24/h5,7,21-22H,4,6,8-19H2,1-3H3/b7-5+/t21?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Berkeley Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by scintillation counting analysis				J Nat Prod 78: 1671-82 (2015) Article DOI: 10.1021/acs.jnatprod.5b00301 BindingDB Entry DOI: 10.7270/Q22F7Q76
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530965 (CHEMBL4527740) Show SMILES COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530965 (CHEMBL4527740) Show SMILES COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530969 (CHEMBL4537452) Show SMILES COc1ccc(c(F)c1)-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H20FN5O/c1-30-19-8-9-20(21(24)12-19)22-13-23(28-16-27-22)29(14-17-6-2-4-10-25-17)15-18-7-3-5-11-26-18/h2-13,16H,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530969 (CHEMBL4537452) Show SMILES COc1ccc(c(F)c1)-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H20FN5O/c1-30-19-8-9-20(21(24)12-19)22-13-23(28-16-27-22)29(14-17-6-2-4-10-25-17)15-18-7-3-5-11-26-18/h2-13,16H,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530960 (CHEMBL4457546) Show SMILES COc1ccccc1-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21N5O/c1-29-22-11-3-2-10-20(22)21-14-23(27-17-26-21)28(15-18-8-4-6-12-24-18)16-19-9-5-7-13-25-19/h2-14,17H,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530960 (CHEMBL4457546) Show SMILES COc1ccccc1-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21N5O/c1-29-22-11-3-2-10-20(22)21-14-23(27-17-26-21)28(15-18-8-4-6-12-24-18)16-19-9-5-7-13-25-19/h2-14,17H,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Inhibition of human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as decrease in ACh-induced channel currents at -60 mV holding potential...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in channel currents at -60 mV holding potential by tw...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530963 (CHEMBL4475881) Show SMILES Nc1nc(cc(n1)-c1ccccc1Cl)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C22H19ClN6/c23-19-10-2-1-9-18(19)20-13-21(28-22(24)27-20)29(14-16-7-3-5-11-25-16)15-17-8-4-6-12-26-17/h1-13H,14-15H2,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530964 (CHEMBL4563052) Show SMILES COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H23N5O3S/c1-32-22-12-4-3-11-20(22)21-15-23(28-24(27-21)33(2,30)31)29(16-18-9-5-7-13-25-18)17-19-10-6-8-14-26-19/h3-15H,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530965 (CHEMBL4527740) Show SMILES COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 min...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530966 (CHEMBL4533770) Show SMILES Nc1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C20H18N6S/c21-20-24-18(15-7-10-27-14-15)11-19(25-20)26(12-16-5-1-3-8-22-16)13-17-6-2-4-9-23-17/h1-11,14H,12-13H2,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 min...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530967 (CHEMBL4452777) Show SMILES COc1ccccc1-c1cc(nc(SC)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H23N5OS/c1-30-22-12-4-3-11-20(22)21-15-23(28-24(27-21)31-2)29(16-18-9-5-7-13-25-18)17-19-10-6-8-14-26-19/h3-15H,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530968 (CHEMBL4586452) Show SMILES CSc1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C21H19N5S2/c1-27-21-24-19(16-8-11-28-15-16)12-20(25-21)26(13-17-6-2-4-9-22-17)14-18-7-3-5-10-23-18/h2-12,15H,13-14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530969 (CHEMBL4537452) Show SMILES COc1ccc(c(F)c1)-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H20FN5O/c1-30-19-8-9-20(21(24)12-19)22-13-23(28-16-27-22)29(14-17-6-2-4-10-25-17)15-18-7-3-5-11-26-18/h2-13,16H,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530970 (CHEMBL4583746) Show SMILES COc1ccccc1-c1cc(nc(n1)C(F)(F)F)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H20F3N5O/c1-33-21-11-3-2-10-19(21)20-14-22(31-23(30-20)24(25,26)27)32(15-17-8-4-6-12-28-17)16-18-9-5-7-13-29-18/h2-14H,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530971 (CHEMBL4440571) Show SMILES FC(F)(F)c1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C21H16F3N5S/c22-21(23,24)20-27-18(15-7-10-30-14-15)11-19(28-20)29(12-16-5-1-3-8-25-16)13-17-6-2-4-9-26-17/h1-11,14H,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530972 (CHEMBL4558567) Show SMILES COc1ccccc1-c1cc(nc(n1)[S+](C)[O-])N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H23N5O2S/c1-31-22-12-4-3-11-20(22)21-15-23(28-24(27-21)32(2)30)29(16-18-9-5-7-13-25-18)17-19-10-6-8-14-26-19/h3-15H,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530961 (CHEMBL4519242) Show SMILES COc1cccc(OC)c1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H24N6O2/c1-31-20-10-7-11-21(32-2)23(20)19-14-22(29-24(25)28-19)30(15-17-8-3-5-12-26-17)16-18-9-4-6-13-27-18/h3-14H,15-16H2,1-2H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530973 (CHEMBL4566641) Show SMILES COc1cc(F)ccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-21-12-16(24)8-9-19(21)20-13-22(29-23(25)28-20)30(14-17-6-2-4-10-26-17)15-18-7-3-5-11-27-18/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530974 (CHEMBL4578541) Show SMILES CC(C)Oc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C25H26N6O/c1-18(2)32-23-12-4-3-11-21(23)22-15-24(30-25(26)29-22)31(16-19-9-5-7-13-27-19)17-20-10-6-8-14-28-20/h3-15,18H,16-17H2,1-2H3,(H2,26,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	890	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530975 (CHEMBL4550170) Show SMILES CC(C)COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C26H28N6O/c1-19(2)18-33-24-12-4-3-11-22(24)23-15-25(31-26(27)30-23)32(16-20-9-5-7-13-28-20)17-21-10-6-8-14-29-21/h3-15,19H,16-18H2,1-2H3,(H2,27,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530962 (CHEMBL4441937) Show SMILES COc1ccc(c(F)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-18-8-9-19(20(24)12-18)21-13-22(29-23(25)28-21)30(14-16-6-2-4-10-26-16)15-17-7-3-5-11-27-17/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530965 (CHEMBL4527740) Show SMILES COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in channel currents at -60 mV holding potential by tw...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530960 (CHEMBL4457546) Show SMILES COc1ccccc1-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21N5O/c1-29-22-11-3-2-10-20(22)21-14-23(27-17-26-21)28(15-18-8-4-6-12-24-18)16-19-9-5-7-13-25-19/h2-14,17H,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in channel currents at -60 mV holding potential by tw...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530964 (CHEMBL4563052) Show SMILES COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H23N5O3S/c1-32-22-12-4-3-11-20(22)21-15-23(28-24(27-21)33(2,30)31)29(16-18-9-5-7-13-25-18)17-19-10-6-8-14-26-19/h3-15H,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530960 (CHEMBL4457546) Show SMILES COc1ccccc1-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21N5O/c1-29-22-11-3-2-10-20(22)21-14-23(27-17-26-21)28(15-18-8-4-6-12-24-18)16-19-9-5-7-13-25-19/h2-14,17H,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in channel currents at -60 mV holding potential by tw...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530960 (CHEMBL4457546) Show SMILES COc1ccccc1-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21N5O/c1-29-22-11-3-2-10-20(22)21-14-23(27-17-26-21)28(15-18-8-4-6-12-24-18)16-19-9-5-7-13-25-19/h2-14,17H,15-16H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530965 (CHEMBL4527740) Show SMILES COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 min...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530976 (CHEMBL4536476) Show SMILES COc1ccc(c(OC)c1)-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H24N6O2/c1-31-19-9-10-20(22(13-19)32-2)21-14-23(29-24(25)28-21)30(15-17-7-3-5-11-26-17)16-18-8-4-6-12-27-18/h3-14H,15-16H2,1-2H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 min...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530969 (CHEMBL4537452) Show SMILES COc1ccc(c(F)c1)-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H20FN5O/c1-30-19-8-9-20(21(24)12-19)22-13-23(28-16-27-22)29(14-17-6-2-4-10-25-17)15-18-7-3-5-11-26-18/h2-13,16H,14-15H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530977 (CHEMBL4590635) Show SMILES Fc1ccccc1-c1cc(ncn1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C22H18FN5/c23-20-10-2-1-9-19(20)21-13-22(27-16-26-21)28(14-17-7-3-5-11-24-17)15-18-8-4-6-12-25-18/h1-13,16H,14-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530971 (CHEMBL4440571) Show SMILES FC(F)(F)c1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C21H16F3N5S/c22-21(23,24)20-27-18(15-7-10-30-14-15)11-19(28-20)29(12-16-5-1-3-8-25-16)13-17-6-2-4-9-26-17/h1-11,14H,12-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530972 (CHEMBL4558567) Show SMILES COc1ccccc1-c1cc(nc(n1)[S+](C)[O-])N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H23N5O2S/c1-31-22-12-4-3-11-20(22)21-15-23(28-24(27-21)32(2)30)29(16-18-9-5-7-13-25-18)17-19-10-6-8-14-26-19/h3-15H,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530978 (CHEMBL4571915) Show SMILES C(N(Cc1ccccn1)c1cc(ncn1)N1CCOCC1)c1ccccn1 Show InChI InChI=1S/C20H22N6O/c1-3-7-21-17(5-1)14-26(15-18-6-2-4-8-22-18)20-13-19(23-16-24-20)25-9-11-27-12-10-25/h1-8,13,16H,9-12,14-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530973 (CHEMBL4566641) Show SMILES COc1cc(F)ccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H21FN6O/c1-31-21-12-16(24)8-9-19(21)20-13-22(29-23(25)28-20)30(14-17-6-2-4-10-26-17)15-18-7-3-5-11-27-18/h2-13H,14-15H2,1H3,(H2,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530979 (CHEMBL4445501) Show SMILES CSc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H22N6S/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530975 (CHEMBL4550170) Show SMILES CC(C)COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C26H28N6O/c1-19(2)18-33-24-12-4-3-11-22(24)23-15-25(31-26(27)30-23)32(16-20-9-5-7-13-28-20)17-21-10-6-8-14-29-21/h3-15,19H,16-18H2,1-2H3,(H2,27,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530980 (CHEMBL4448194) Show SMILES COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccc1)Cc1ccccn1 Show InChI InChI=1S/C24H23N5O/c1-30-22-13-6-5-12-20(22)21-15-23(28-24(25)27-21)29(16-18-9-3-2-4-10-18)17-19-11-7-8-14-26-19/h2-15H,16-17H2,1H3,(H2,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.33E+4	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530965 (CHEMBL4527740) Show SMILES COc1ccccc1-c1cc(nc(N)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C23H22N6O/c1-30-21-11-3-2-10-19(21)20-14-22(28-23(24)27-20)29(15-17-8-4-6-12-25-17)16-18-9-5-7-13-26-18/h2-14H,15-16H2,1H3,(H2,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as increase in channel currents at -60 mV holding potential by tw...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530966 (CHEMBL4533770) Show SMILES Nc1nc(cc(n1)-c1ccsc1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C20H18N6S/c21-20-24-18(15-7-10-27-14-15)11-19(25-20)26(12-16-5-1-3-8-22-16)13-17-6-2-4-9-23-17/h1-11,14H,12-13H2,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at alpha7 nAChR (unknown origin) transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 min...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50530967 (CHEMBL4452777) Show SMILES COc1ccccc1-c1cc(nc(SC)n1)N(Cc1ccccn1)Cc1ccccn1 Show InChI InChI=1S/C24H23N5OS/c1-30-22-12-4-3-11-20(22)21-15-23(28-24(27-21)31-2)29(16-18-9-5-7-13-25-18)17-19-10-6-8-14-26-19/h3-15H,16-17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
University of California-San Diego Curated by ChEMBL					Assay Description Agonist activity at human alpha7 nAChR transfected in HEK cells assessed as increase in intracellular calcium release incubated for 30 mins in presen...				J Med Chem 62: 10376-10390 (2019) Article DOI: 10.1021/acs.jmedchem.9b01467 BindingDB Entry DOI: 10.7270/Q20005K9
					More data for this Ligand-Target Pair

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