Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50038842   

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))	BDBM50268452 ((4-cyclobutylpiperazin-1-yl)(2-(morpholine-4-carbo...) Show SMILES FC(F)(F)Cn1c(cc2cc(ccc12)C(=O)N1CCN(CC1)C1CCC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C24H29F3N4O3/c25-24(26,27)16-31-20-5-4-17(22(32)29-8-6-28(7-9-29)19-2-1-3-19)14-18(20)15-21(31)23(33)30-10-12-34-13-11-30/h4-5,14-15,19H,1-3,6-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268508 ((5-fluoro-6-(1-isopropylpiperidin-4-yloxy)-1H-indo...) Show SMILES CC(C)N1CCC(CC1)Oc1cc2[nH]c(cc2cc1F)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H28FN3O3/c1-14(2)24-5-3-16(4-6-24)28-20-13-18-15(11-17(20)22)12-19(23-18)21(26)25-7-9-27-10-8-25/h11-14,16,23H,3-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268947 ((5-(1-cyclopropylpiperidin-4-yloxy)-1H-indol-2-yl)...) Show SMILES O=C(N1CCOCC1)c1cc2cc(OC3CCN(CC3)C3CC3)ccc2[nH]1 Show InChI InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268948 ((5-(1-tert-butylpiperidin-4-yloxy)-1H-indol-2-yl)(...) Show SMILES CC(C)(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H31N3O3/c1-22(2,3)25-8-6-17(7-9-25)28-18-4-5-19-16(14-18)15-20(23-19)21(26)24-10-12-27-13-11-24/h4-5,14-15,17,23H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268994 ((5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(4...) Show SMILES COC1CCN(CC1)C(=O)c1cc2cc(OC3CCN(CC3)C(C)C)ccc2[nH]1 Show InChI InChI=1S/C23H33N3O3/c1-16(2)25-10-8-19(9-11-25)29-20-4-5-21-17(14-20)15-22(24-21)23(27)26-12-6-18(28-3)7-13-26/h4-5,14-16,18-19,24H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268995 ((3-hydroxypyrrolidin-1-yl)(5-(1-isopropylpiperidin...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(O)C1 Show InChI InChI=1S/C21H29N3O3/c1-14(2)23-9-6-17(7-10-23)27-18-3-4-19-15(11-18)12-20(22-19)21(26)24-8-5-16(25)13-24/h3-4,11-12,14,16-17,22,25H,5-10,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268996 ((3,3-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCCC(F)(F)C1 Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-10-6-17(7-11-26)29-18-4-5-19-16(12-18)13-20(25-19)21(28)27-9-3-8-22(23,24)14-27/h4-5,12-13,15,17,25H,3,6-11,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268997 ((4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperi...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-9-5-17(6-10-26)29-18-3-4-19-16(13-18)14-20(25-19)21(28)27-11-7-22(23,24)8-12-27/h3-4,13-15,17,25H,5-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268998 ((1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-[5-(1-is...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H29N3O4S/c1-15(2)23-7-5-17(6-8-23)28-18-3-4-19-16(13-18)14-20(22-19)21(25)24-9-11-29(26,27)12-10-24/h3-4,13-15,17,22H,5-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269052 ((6-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(m...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2cc([nH]c2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H29N3O3/c1-15(2)23-7-5-17(6-8-23)27-18-4-3-16-13-20(22-19(16)14-18)21(25)24-9-11-26-12-10-24/h3-4,13-15,17,22H,5-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269053 ((5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluo...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H30F3N3O3/c1-16(2)27-7-5-18(6-8-27)32-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-31-12-10-28/h3-4,13-14,16,18H,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	n/a	n/a	4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269054 ((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C24H30F5N3O2/c1-16(2)30-9-5-18(6-10-30)34-19-3-4-20-17(13-19)14-21(32(20)15-24(27,28)29)22(33)31-11-7-23(25,26)8-12-31/h3-4,13-14,16,18H,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	n/a	n/a	4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(C(C)C)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C25H35F2N3O2/c1-17(2)28-11-7-20(8-12-28)32-21-5-6-22-19(15-21)16-23(30(22)18(3)4)24(31)29-13-9-25(26,27)10-14-29/h5-6,15-18,20H,7-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269096 (1-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isop...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(C(C)=O)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C24H31F2N3O3/c1-16(2)27-10-6-19(7-11-27)32-20-4-5-21-18(14-20)15-22(29(21)17(3)30)23(31)28-12-8-24(25,26)9-13-28/h4-5,14-16,19H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269097 ((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O Show InChI InChI=1S/C23H31F2N3O4S/c1-16(2)26-10-6-18(7-11-26)32-19-4-5-20-17(14-19)15-21(28(20)33(3,30)31)22(29)27-12-8-23(24,25)9-13-27/h4-5,14-16,18H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269098 ((4,4-difluoropiperidin-1-yl)(1-(4-fluorophenylsulf...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F3N3O4S/c1-19(2)32-13-9-22(10-14-32)38-23-5-8-25-20(17-23)18-26(27(35)33-15-11-28(30,31)12-16-33)34(25)39(36,37)24-6-3-21(29)4-7-24/h3-8,17-19,22H,9-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269099 (2-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isop...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC#N)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C24H30F2N4O2/c1-17(2)28-10-5-19(6-11-28)32-20-3-4-21-18(15-20)16-22(30(21)14-9-27)23(31)29-12-7-24(25,26)8-13-29/h3-4,15-17,19H,5-8,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268291 ((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268292 ((1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-[5-(1-is...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C23H30F3N3O4S/c1-16(2)27-7-5-18(6-8-27)33-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-34(31,32)12-10-28/h3-4,13-14,16,18H,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	n/a	n/a	4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268293 ((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268294 (CHEMBL520148 | morpholino(5-(1-(oxetan-3-yl)piperi...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3COC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)15-29-20-2-1-19(33-18-3-5-27(6-4-18)17-13-32-14-17)11-16(20)12-21(29)22(30)28-7-9-31-10-8-28/h1-2,11-12,17-18H,3-10,13-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268323 ((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268450 ((5-(1-isopropylpiperidin-4-ylamino)-1H-indol-2-yl)...) Show SMILES CC(C)N1CCC(CC1)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C21H30N4O2/c1-15(2)24-7-5-17(6-8-24)22-18-3-4-19-16(13-18)14-20(23-19)21(26)25-9-11-27-12-10-25/h3-4,13-15,17,22-23H,5-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268451 (2-(ethoxycarbonyl)-1H-indole-5-carboxylic acid | C...) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C(O)=O Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268453 ((5-(1-isopropylpiperidin-4-yloxy)-2-methyl-1H-indo...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(C)c(C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H31N3O3/c1-15(2)24-8-6-17(7-9-24)28-18-4-5-20-19(14-18)21(16(3)23-20)22(26)25-10-12-27-13-11-25/h4-5,14-15,17,23H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	405	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268946 (CHEMBL522555 | morpholino(5-(3-(piperidin-1-yl)pro...) Show SMILES O=C(N1CCOCC1)c1cc2cc(OCCCN3CCCCC3)ccc2[nH]1 Show InChI InChI=1S/C21H29N3O3/c25-21(24-10-13-26-14-11-24)20-16-17-15-18(5-6-19(17)22-20)27-12-4-9-23-7-2-1-3-8-23/h5-6,15-16,22H,1-4,7-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair