Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'hoare' and Initial = 'j'   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297852 (2-(4-(1H-imidazol-1-yl)piperidin-1-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2ccnc2)cc1 Show InChI InChI=1S/C22H22FN5/c23-18-7-5-17(6-8-18)15-28-21-4-2-1-3-20(21)25-22(28)26-12-9-19(10-13-26)27-14-11-24-16-27/h1-8,11,14,16,19H,9-10,12-13,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297863 (CHEMBL563451 | N,N-dimethyl-1-(1-(4-methylbenzyl)-...) Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1 Show InChI InChI=1S/C22H28N4/c1-17-8-10-18(11-9-17)16-26-21-7-5-4-6-20(21)23-22(26)25-14-12-19(13-15-25)24(2)3/h4-11,19H,12-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297864 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N,...) Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C21H25FN4/c1-24(2)18-11-13-25(14-12-18)21-23-19-5-3-4-6-20(19)26(21)15-16-7-9-17(22)10-8-16/h3-10,18H,11-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297859 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H29FN4O/c1-26(15-16-29-2)20-11-13-27(14-12-20)23-25-21-5-3-4-6-22(21)28(23)17-18-7-9-19(24)10-8-18/h3-10,20H,11-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297862 (1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-N...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)C)cc1 Show InChI InChI=1S/C22H28N4O/c1-24(2)18-12-14-25(15-13-18)22-23-20-6-4-5-7-21(20)26(22)16-17-8-10-19(27-3)11-9-17/h4-11,18H,12-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297866 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES CNC1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C20H23FN4/c1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297869 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C28H31FN4/c1-31(18-15-22-7-3-2-4-8-22)25-16-19-32(20-17-25)28-30-26-9-5-6-10-27(26)33(28)21-23-11-13-24(29)14-12-23/h2-14,25H,15-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22877 (2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl...) Show SMILES CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1 Show InChI InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297867 (CHEMBL558933 | N-cyclohexyl-1-(1-(4-fluorobenzyl)-...) Show SMILES CN(C1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C26H33FN4/c1-29(22-7-3-2-4-8-22)23-15-17-30(18-16-23)26-28-24-9-5-6-10-25(24)31(26)19-20-11-13-21(27)14-12-20/h5-6,9-14,22-23H,2-4,7-8,15-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297855 (CHEMBL559061 | N1-(1-(1-(4-fluorobenzyl)-1H-benzo[...) Show SMILES CN(C)CCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C24H32FN5/c1-27(2)16-17-28(3)21-12-14-29(15-13-21)24-26-22-6-4-5-7-23(22)30(24)18-19-8-10-20(25)11-9-19/h4-11,21H,12-18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297858 (2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl...) Show SMILES CN(CCO)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C22H27FN4O/c1-25(14-15-28)19-10-12-26(13-11-19)22-24-20-4-2-3-5-21(20)27(22)16-17-6-8-18(23)9-7-17/h2-9,19,28H,10-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297870 (CHEMBL551888 | N-benzyl-1-(1-(4-fluorobenzyl)-1H-b...) Show SMILES CN(Cc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C27H29FN4/c1-30(19-21-7-3-2-4-8-21)24-15-17-31(18-16-24)27-29-25-9-5-6-10-26(25)32(27)20-22-11-13-23(28)14-12-22/h2-14,24H,15-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C26H33FN4O/c1-29(18-21-12-16-32-17-13-21)23-10-14-30(15-11-23)26-28-24-4-2-3-5-25(24)31(26)19-20-6-8-22(27)9-7-20/h2-9,21,23H,10-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297857 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1 Show InChI InChI=1S/C25H31FN4O/c26-21-7-5-20(6-8-21)18-30-24-4-2-1-3-23(24)28-25(30)29-13-9-22(10-14-29)27-17-19-11-15-31-16-12-19/h1-8,19,22,27H,9-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297854 (1'-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-1...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N2CCCCC2=O)cc1 Show InChI InChI=1S/C24H27FN4O/c25-19-10-8-18(9-11-19)17-29-22-6-2-1-5-21(22)26-24(29)27-15-12-20(13-16-27)28-14-4-3-7-23(28)30/h1-2,5-6,8-11,20H,3-4,7,12-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297850 (1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...) Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297849 (1-(4-methoxybenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cc(C)cn2)cc1 Show InChI InChI=1S/C24H27N5O/c1-18-15-25-29(16-18)20-11-13-27(14-12-20)24-26-22-5-3-4-6-23(22)28(24)17-19-7-9-21(30-2)10-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297860 (1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-N...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)CC2CCOCC2)cc1 Show InChI InChI=1S/C27H36N4O2/c1-29(19-22-13-17-33-18-14-22)23-11-15-30(16-12-23)27-28-25-5-3-4-6-26(25)31(27)20-21-7-9-24(32-2)10-8-21/h3-10,22-23H,11-20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297856 (1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-N...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1 Show InChI InChI=1S/C26H34N4O2/c1-31-23-8-6-21(7-9-23)19-30-25-5-3-2-4-24(25)28-26(30)29-14-10-22(11-15-29)27-18-20-12-16-32-17-13-20/h2-9,20,22,27H,10-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297861 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C26H33FN4O/c1-29(18-21-12-16-32-17-13-21)23-10-14-30(15-11-23)26-28-24-4-2-3-5-25(24)31(26)19-20-6-8-22(27)9-7-20/h2-9,21,23H,10-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297851 (2-(4-(1H-pyrazol-1-yl)piperidin-1-yl)-1-(4-fluorob...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccn2)cc1 Show InChI InChI=1S/C22H22FN5/c23-18-8-6-17(7-9-18)16-27-21-5-2-1-4-20(21)25-22(27)26-14-10-19(11-15-26)28-13-3-12-24-28/h1-9,12-13,19H,10-11,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297859 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H29FN4O/c1-26(15-16-29-2)20-11-13-27(14-12-20)23-25-21-5-3-4-6-22(21)28(23)17-18-7-9-19(24)10-8-18/h3-10,20H,11-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297864 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N,...) Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C21H25FN4/c1-24(2)18-11-13-25(14-12-18)21-23-19-5-3-4-6-20(19)26(21)15-16-7-9-17(22)10-8-16/h3-10,18H,11-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297853 (2-(4-(1H-pyrrol-1-yl)piperidin-1-yl)-1-(4-fluorobe...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccc2)cc1 Show InChI InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)17-28-22-6-2-1-5-21(22)25-23(28)27-15-11-20(12-16-27)26-13-3-4-14-26/h1-10,13-14,20H,11-12,15-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297863 (CHEMBL563451 | N,N-dimethyl-1-(1-(4-methylbenzyl)-...) Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1 Show InChI InChI=1S/C22H28N4/c1-17-8-10-18(11-9-17)16-26-21-7-5-4-6-20(21)23-22(26)25-14-12-19(13-15-25)24(2)3/h4-11,19H,12-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50297872 (CHEMBL561489 | N-(1-(1-(4-fluorobenzyl)-1H-benzo[d...) Show SMILES CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ncccn1 Show InChI InChI=1S/C24H25FN6/c1-29(23-26-13-4-14-27-23)20-11-15-30(16-12-20)24-28-21-5-2-3-6-22(21)31(24)17-18-7-9-19(25)10-8-18/h2-10,13-14,20H,11-12,15-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50297869 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C28H31FN4/c1-31(18-15-22-7-3-2-4-8-22)25-16-19-32(20-17-25)28-30-26-9-5-6-10-27(26)33(28)21-23-11-13-24(29)14-12-23/h2-14,25H,15-21H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297860 (1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-N...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)CC2CCOCC2)cc1 Show InChI InChI=1S/C27H36N4O2/c1-29(19-22-13-17-33-18-14-22)23-11-15-30(16-12-23)27-28-25-5-3-4-6-26(25)31(27)20-21-7-9-24(32-2)10-8-21/h3-10,22-23H,11-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297858 (2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl...) Show SMILES CN(CCO)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C22H27FN4O/c1-25(14-15-28)19-10-12-26(13-11-19)22-24-20-4-2-3-5-21(20)27(22)16-17-6-8-18(23)9-7-17/h2-9,19,28H,10-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297852 (2-(4-(1H-imidazol-1-yl)piperidin-1-yl)-1-(4-fluoro...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2ccnc2)cc1 Show InChI InChI=1S/C22H22FN5/c23-18-7-5-17(6-8-18)15-28-21-4-2-1-3-20(21)25-22(28)26-12-9-19(10-13-26)27-14-11-24-16-27/h1-8,11,14,16,19H,9-10,12-13,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297853 (2-(4-(1H-pyrrol-1-yl)piperidin-1-yl)-1-(4-fluorobe...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccc2)cc1 Show InChI InChI=1S/C23H23FN4/c24-19-9-7-18(8-10-19)17-28-22-6-2-1-5-21(22)25-23(28)27-15-11-20(12-16-27)26-13-3-4-14-26/h1-10,13-14,20H,11-12,15-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297862 (1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-N...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N(C)C)cc1 Show InChI InChI=1S/C22H28N4O/c1-24(2)18-12-14-25(15-13-18)22-23-20-6-4-5-7-21(20)26(22)16-17-8-10-19(27-3)11-9-17/h4-11,18H,12-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297857 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1 Show InChI InChI=1S/C25H31FN4O/c26-21-7-5-20(6-8-21)18-30-24-4-2-1-3-23(24)28-25(30)29-13-9-22(10-14-29)27-17-19-11-15-31-16-12-19/h1-8,19,22,27H,9-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	426	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297869 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C28H31FN4/c1-31(18-15-22-7-3-2-4-8-22)25-16-19-32(20-17-25)28-30-26-9-5-6-10-27(26)33(28)21-23-11-13-24(29)14-12-23/h2-14,25H,15-21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	502	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297855 (CHEMBL559061 | N1-(1-(1-(4-fluorobenzyl)-1H-benzo[...) Show SMILES CN(C)CCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C24H32FN5/c1-27(2)16-17-28(3)21-12-14-29(15-13-21)24-26-22-6-4-5-7-23(22)30(24)18-19-8-10-20(25)11-9-19/h4-11,21H,12-18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297870 (CHEMBL551888 | N-benzyl-1-(1-(4-fluorobenzyl)-1H-b...) Show SMILES CN(Cc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C27H29FN4/c1-30(19-21-7-3-2-4-8-21)24-15-17-31(18-16-24)27-29-25-9-5-6-10-26(25)32(27)20-22-11-13-23(28)14-12-22/h2-14,24H,15-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	805	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50297866 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES CNC1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C20H23FN4/c1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	988	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297872 (CHEMBL561489 | N-(1-(1-(4-fluorobenzyl)-1H-benzo[d...) Show SMILES CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ncccn1 Show InChI InChI=1S/C24H25FN6/c1-29(23-26-13-4-14-27-23)20-11-15-30(16-12-20)24-28-21-5-2-3-6-22(21)31(24)17-18-7-9-19(25)10-8-18/h2-10,13-14,20H,11-12,15-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297856 (1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-N...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)NCC2CCOCC2)cc1 Show InChI InChI=1S/C26H34N4O2/c1-31-23-8-6-21(7-9-23)19-30-25-5-3-2-4-24(25)28-26(30)29-14-10-22(11-15-29)27-18-20-12-16-32-17-13-20/h2-9,20,22,27H,10-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297867 (CHEMBL558933 | N-cyclohexyl-1-(1-(4-fluorobenzyl)-...) Show SMILES CN(C1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C26H33FN4/c1-29(22-7-3-2-4-8-22)23-15-17-30(18-16-23)26-28-24-9-5-6-10-25(24)31(26)19-20-11-13-21(27)14-12-20/h5-6,9-14,22-23H,2-4,7-8,15-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50297867 (CHEMBL558933 | N-cyclohexyl-1-(1-(4-fluorobenzyl)-...) Show SMILES CN(C1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C26H33FN4/c1-29(22-7-3-2-4-8-22)23-15-17-30(18-16-23)26-28-24-9-5-6-10-25(24)31(26)19-20-11-13-21(27)14-12-20/h5-6,9-14,22-23H,2-4,7-8,15-19H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297851 (2-(4-(1H-pyrazol-1-yl)piperidin-1-yl)-1-(4-fluorob...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cccn2)cc1 Show InChI InChI=1S/C22H22FN5/c23-18-8-6-17(7-9-18)16-27-21-5-2-1-4-20(21)25-22(27)26-14-10-19(11-15-26)28-13-3-12-24-28/h1-9,12-13,19H,10-11,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50297870 (CHEMBL551888 | N-benzyl-1-(1-(4-fluorobenzyl)-1H-b...) Show SMILES CN(Cc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C27H29FN4/c1-30(19-21-7-3-2-4-8-21)24-15-17-31(18-16-24)27-29-25-9-5-6-10-26(25)32(27)20-22-11-13-23(28)14-12-22/h2-14,24H,15-20H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297850 (1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...) Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297849 (1-(4-methoxybenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)n2cc(C)cn2)cc1 Show InChI InChI=1S/C24H27N5O/c1-18-15-25-29(16-18)20-11-13-27(14-12-20)24-26-22-5-3-4-6-23(22)28(24)17-19-7-9-21(30-2)10-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50297866 (1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...) Show SMILES CNC1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1 Show InChI InChI=1S/C20H23FN4/c1-22-17-10-12-24(13-11-17)20-23-18-4-2-3-5-19(18)25(20)14-15-6-8-16(21)9-7-15/h2-9,17,22H,10-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM22877 (2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl...) Show SMILES CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1 Show InChI InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50297854 (1'-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-1...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCC(CC2)N2CCCCC2=O)cc1 Show InChI InChI=1S/C24H27FN4O/c25-19-10-8-18(9-11-19)17-29-22-6-2-1-5-21(22)26-24(29)27-15-12-20(13-16-27)28-14-4-3-7-23(28)30/h1-2,5-6,8-11,20H,3-4,7,12-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50297872 (CHEMBL561489 | N-(1-(1-(4-fluorobenzyl)-1H-benzo[d...) Show SMILES CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ncccn1 Show InChI InChI=1S/C24H25FN6/c1-29(23-26-13-4-14-27-23)20-11-15-30(16-12-20)24-28-21-5-2-3-6-22(21)31(24)17-18-7-9-19(25)10-8-18/h2-10,13-14,20H,11-12,15-17H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM22877 (2-((1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl...) Show SMILES CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1 Show InChI InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation assay				Bioorg Med Chem Lett 19: 4380-4 (2009) Article DOI: 10.1016/j.bmcl.2009.05.086 BindingDB Entry DOI: 10.7270/Q2KS6RM8
					More data for this Ligand-Target Pair

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