Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50030438   

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 H3 receptor (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]R-alpha-methylistamine from human histamine H3 receptor by cell-based assay				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]R-alpha-methylistamine from rat histamine H3 receptor by cell-based assay				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]R-alpha-methylistamine from mouse histamine H3 receptor by cell-based assay				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296179 ((+/-)-1-Cyclobutyl-4-[4-(8-methoxy-3-methyl-4,4-di...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C25H31NO5S/c1-17-24(31-25-22(29-2)7-4-8-23(25)32(17,27)28)18-9-11-20(12-10-18)30-21-13-15-26(16-14-21)19-5-3-6-19/h4,7-12,17,19,21,24H,3,5-6,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296178 ((+/-)-(S)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H](C)C2)cc1 |r| Show InChI InChI=1S/C25H33NO5S/c1-18-7-5-14-26(17-18)15-6-16-30-21-12-10-20(11-13-21)24-19(2)32(27,28)23-9-4-8-22(29-3)25(23)31-24/h4,8-13,18-19,24H,5-7,14-17H2,1-3H3/t18-,19?,24?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296176 ((+/-)-(R)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C24H31NO5S/c1-17-7-5-14-25(17)15-6-16-29-20-12-10-19(11-13-20)23-18(2)31(26,27)22-9-4-8-21(28-3)24(22)30-23/h4,8-13,17-18,23H,5-7,14-16H2,1-3H3/t17-,18?,23?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296174 ((+/-)-1-{3-[4-(7-Methoxy-3-methyl-4,4-dioxo-3,4-di...) Show SMILES COc1ccc2c(OC(C(C)S2(=O)=O)c2ccc(OCCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C23H29NO5S/c1-17-23(29-21-16-20(27-2)10-11-22(21)30(17,25)26)18-6-8-19(9-7-18)28-15-5-14-24-12-3-4-13-24/h6-11,16-17,23H,3-5,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296175 ((+/-)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,4-di...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H31NO5S/c1-18-23(30-24-21(28-2)8-6-9-22(24)31(18,26)27)19-10-12-20(13-11-19)29-17-7-16-25-14-4-3-5-15-25/h6,8-13,18,23H,3-5,7,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296173 ((+/-)-1-{3-[4-(6-Methoxy-3-methyl-4,4-dioxo-3,4-di...) Show SMILES COc1ccc2OC(C(C)S(=O)(=O)c2c1)c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C23H29NO5S/c1-17-23(29-21-11-10-20(27-2)16-22(21)30(17,25)26)18-6-8-19(9-7-18)28-15-5-14-24-12-3-4-13-24/h6-11,16-17,23H,3-5,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296172 ((+/-)-1-{3-[4-(5-Methoxy-3-methyl-4,4-dioxo-3,4-di...) Show SMILES COc1cccc2OC(C(C)S(=O)(=O)c12)c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-21-8-5-7-20(27-2)23(21)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296181 ((+/-)-1-{3-[4-(3-Methyl-4,4-dioxo-3,4-dihydro-2H-4...) Show SMILES CC1C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296188 (CHEMBL558248 | trans-1-{3-[4-(3-Methyl-4,4-dioxo-3...) Show SMILES C[C@@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296180 (1-{3-[4-((2R,3R)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@@H]([C@@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.607	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296177 ((+/-)-(S)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@@H]2C)cc1 |r| Show InChI InChI=1S/C24H31NO5S/c1-17-7-5-14-25(17)15-6-16-29-20-12-10-19(11-13-20)23-18(2)31(26,27)22-9-4-8-21(28-3)24(22)30-23/h4,8-13,17-18,23H,5-7,14-16H2,1-3H3/t17-,18?,23?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296189 (1-{3-[4-(3-Methyl-4,4-dioxo-4H-4lambda*6*-benzo[1,...) Show SMILES CC1=C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |t:1| Show InChI InChI=1S/C22H25NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12H,4-6,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296185 (CHEMBL550393 | trans-1-(3-(4-(3-methyl-2,3-dihydro...) Show SMILES C[C@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C22H27NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296184 (CHEMBL564514 | cis-1-(3-(4-(3-phenyl-2,3-dihydrobe...) Show SMILES C(COc1ccc(cc1)[C@H]1Oc2ccccc2S[C@H]1c1ccccc1)CN1CCCC1 |r| Show InChI InChI=1S/C27H29NO2S/c1-2-9-22(10-3-1)27-26(30-24-11-4-5-12-25(24)31-27)21-13-15-23(16-14-21)29-20-8-19-28-17-6-7-18-28/h1-5,9-16,26-27H,6-8,17-20H2/t26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296187 (CHEMBL549908 | cis-1-{3-[4-(3-Methyl-4,4-dioxo-3,4...) Show SMILES C[C@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296186 (1-(3-(4-(3-methylbenzo[b][1,4]oxathiin-2-yl)phenox...) Show SMILES CC1=C(Oc2ccccc2S1)c1ccc(OCCCN2CCCC2)cc1 |t:1| Show InChI InChI=1S/C22H25NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12H,4-6,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296182 (CHEMBL557853 | cis-1-(3-(4-(3-methyl-2,3-dihydrobe...) Show SMILES C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C22H27NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296183 (CHEMBL549433 | cis-1-(3-(4-(3-ethyl-2,3-dihydroben...) Show SMILES CC[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO2S/c1-2-21-23(26-20-8-3-4-9-22(20)27-21)18-10-12-19(13-11-18)25-17-7-16-24-14-5-6-15-24/h3-4,8-13,21,23H,2,5-7,14-17H2,1H3/t21-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296182 (CHEMBL557853 | cis-1-(3-(4-(3-methyl-2,3-dihydrobe...) Show SMILES C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C22H27NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50296186 (1-(3-(4-(3-methylbenzo[b][1,4]oxathiin-2-yl)phenox...) Show SMILES CC1=C(Oc2ccccc2S1)c1ccc(OCCCN2CCCC2)cc1 |t:1| Show InChI InChI=1S/C22H25NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12H,4-6,13-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296183 (CHEMBL549433 | cis-1-(3-(4-(3-ethyl-2,3-dihydroben...) Show SMILES CC[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO2S/c1-2-21-23(26-20-8-3-4-9-22(20)27-21)18-10-12-19(13-11-18)25-17-7-16-24-14-5-6-15-24/h3-4,8-13,21,23H,2,5-7,14-17H2,1H3/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296184 (CHEMBL564514 | cis-1-(3-(4-(3-phenyl-2,3-dihydrobe...) Show SMILES C(COc1ccc(cc1)[C@H]1Oc2ccccc2S[C@H]1c1ccccc1)CN1CCCC1 |r| Show InChI InChI=1S/C27H29NO2S/c1-2-9-22(10-3-1)27-26(30-24-11-4-5-12-25(24)31-27)21-13-15-23(16-14-21)29-20-8-19-28-17-6-7-18-28/h1-5,9-16,26-27H,6-8,17-20H2/t26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296185 (CHEMBL550393 | trans-1-(3-(4-(3-methyl-2,3-dihydro...) Show SMILES C[C@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C22H27NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296187 (CHEMBL549908 | cis-1-{3-[4-(3-Methyl-4,4-dioxo-3,4...) Show SMILES C[C@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296189 (1-{3-[4-(3-Methyl-4,4-dioxo-4H-4lambda*6*-benzo[1,...) Show SMILES CC1=C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |t:1| Show InChI InChI=1S/C22H25NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12H,4-6,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296173 ((+/-)-1-{3-[4-(6-Methoxy-3-methyl-4,4-dioxo-3,4-di...) Show SMILES COc1ccc2OC(C(C)S(=O)(=O)c2c1)c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C23H29NO5S/c1-17-23(29-21-11-10-20(27-2)16-22(21)30(17,25)26)18-6-8-19(9-7-18)28-15-5-14-24-12-3-4-13-24/h6-11,16-17,23H,3-5,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296181 ((+/-)-1-{3-[4-(3-Methyl-4,4-dioxo-3,4-dihydro-2H-4...) Show SMILES CC1C(Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296188 (CHEMBL558248 | trans-1-{3-[4-(3-Methyl-4,4-dioxo-3...) Show SMILES C[C@@H]1[C@H](Oc2ccccc2S1(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C22H27NO4S/c1-17-22(27-20-7-2-3-8-21(20)28(17,24)25)18-9-11-19(12-10-18)26-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296174 ((+/-)-1-{3-[4-(7-Methoxy-3-methyl-4,4-dioxo-3,4-di...) Show SMILES COc1ccc2c(OC(C(C)S2(=O)=O)c2ccc(OCCCN3CCCC3)cc2)c1 Show InChI InChI=1S/C23H29NO5S/c1-17-23(29-21-16-20(27-2)10-11-22(21)30(17,25)26)18-6-8-19(9-7-18)28-15-5-14-24-12-3-4-13-24/h6-11,16-17,23H,3-5,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296178 ((+/-)-(S)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H](C)C2)cc1 |r| Show InChI InChI=1S/C25H33NO5S/c1-18-7-5-14-26(17-18)15-6-16-30-21-12-10-20(11-13-21)24-19(2)32(27,28)23-9-4-8-22(29-3)25(23)31-24/h4,8-13,18-19,24H,5-7,14-17H2,1-3H3/t18-,19?,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296176 ((+/-)-(R)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C24H31NO5S/c1-17-7-5-14-25(17)15-6-16-29-20-12-10-19(11-13-20)23-18(2)31(26,27)22-9-4-8-21(28-3)24(22)30-23/h4,8-13,17-18,23H,5-7,14-16H2,1-3H3/t17-,18?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296177 ((+/-)-(S)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@@H]2C)cc1 |r| Show InChI InChI=1S/C24H31NO5S/c1-17-7-5-14-25(17)15-6-16-29-20-12-10-19(11-13-20)23-18(2)31(26,27)22-9-4-8-21(28-3)24(22)30-23/h4,8-13,17-18,23H,5-7,14-16H2,1-3H3/t17-,18?,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296175 ((+/-)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,4-di...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C24H31NO5S/c1-18-23(30-24-21(28-2)8-6-9-22(24)31(18,26)27)19-10-12-20(13-11-19)29-17-7-16-25-14-4-3-5-15-25/h6,8-13,18,23H,3-5,7,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296180 (1-{3-[4-((2R,3R)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@@H]([C@@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296172 ((+/-)-1-{3-[4-(5-Methoxy-3-methyl-4,4-dioxo-3,4-di...) Show SMILES COc1cccc2OC(C(C)S(=O)(=O)c12)c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-21-8-5-7-20(27-2)23(21)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of human histamine H4 receptor				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H2 receptor (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of human histamine H2 receptor				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C23H29NO5S/c1-17-22(29-23-20(27-2)7-5-8-21(23)30(17,25)26)18-9-11-19(12-10-18)28-16-6-15-24-13-3-4-14-24/h5,7-12,17,22H,3-4,6,13-16H2,1-2H3/t17-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of human histamine H1 receptor				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50296179 ((+/-)-1-Cyclobutyl-4-[4-(8-methoxy-3-methyl-4,4-di...) Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1 Show InChI InChI=1S/C25H31NO5S/c1-17-24(31-25-22(29-2)7-4-8-23(25)32(17,27)28)18-9-11-20(12-10-18)30-21-13-15-26(16-14-21)19-5-3-6-19/h4,7-12,17,19,21,24H,3,5-6,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting				Bioorg Med Chem Lett 19: 4232-6 (2009) Article DOI: 10.1016/j.bmcl.2009.05.101 BindingDB Entry DOI: 10.7270/Q20G3K69
					More data for this Ligand-Target Pair