Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50001205   

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 (Rattus norvegicus (rat))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-(R)alpha-MeHA from rat brain H3 receptor				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50247053 (1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...) Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1 Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2	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
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human striatal full length H3 receptor after 60 mins by gamma counting method				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272040 (CHEMBL4129950) Show SMILES C[C@@H](NCc1ccc(OCc2ccc(OCCCN3CCCCC3)cc2)cc1)C(N)=O |r| Show InChI InChI=1S/C25H35N3O3/c1-20(25(26)29)27-18-21-6-10-24(11-7-21)31-19-22-8-12-23(13-9-22)30-17-5-16-28-14-3-2-4-15-28/h6-13,20,27H,2-5,14-19H2,1H3,(H2,26,29)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]-Nalpha-MeHA from human H3 receptor expressed in HEK293 cell membranes by scintillation counting method				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22914 (CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...) Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from human striatal full length H3 receptor expressed in CHOK1 cells after 60 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Mus musculus)	BDBM50247053 (1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...) Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1 Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from mouse brain cortex H3 receptor after 60 mins by gamma counting method				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50247053 (1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...) Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1 Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]-iodoproxyfan from rat brain cortex H3 receptor after 60 mins by gamma counting method				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272087 (CHEMBL4125793) Show SMILES C[C@H](NCc1ccc(OCc2ccc(OCCCN3CCCCC3)cc2)cc1)C(N)=O |r| Show InChI InChI=1S/C25H35N3O3/c1-20(25(26)29)27-18-21-6-10-24(11-7-21)31-19-22-8-12-23(13-9-22)30-17-5-16-28-14-3-2-4-15-28/h6-13,20,27H,2-5,14-19H2,1H3,(H2,26,29)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]-Nalpha-MeHA from human H3 receptor expressed in HEK293 cell membranes by scintillation counting method				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272054 (CHEMBL4129589) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCCC1 Show InChI InChI=1S/C21H29NO/c1-2-7-16-22(15-6-1)17-8-3-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272075 (CHEMBL4126298) Show SMILES CC1CCCN(CCCCCOc2cccc3ccccc23)C1 Show InChI InChI=1S/C21H29NO/c1-18-9-8-15-22(17-18)14-5-2-6-16-23-21-13-7-11-19-10-3-4-12-20(19)21/h3-4,7,10-13,18H,2,5-6,8-9,14-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272080 (CHEMBL4126023) Show SMILES CC1CCCN(CCCCCOc2ccc3ccccc3c2)C1 Show InChI InChI=1S/C21H29NO/c1-18-8-7-14-22(17-18)13-5-2-6-15-23-21-12-11-19-9-3-4-10-20(19)16-21/h3-4,9-12,16,18H,2,5-8,13-15,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272076 (CHEMBL4127523) Show SMILES CC1CCN(CCCCCOc2cccc3ccccc23)CC1 Show InChI InChI=1S/C21H29NO/c1-18-12-15-22(16-13-18)14-5-2-6-17-23-21-11-7-9-19-8-3-4-10-20(19)21/h3-4,7-11,18H,2,5-6,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272056 (CHEMBL4127134) Show SMILES CC1CCCN(CCCCCCOc2cccc3ccccc23)C1 Show InChI InChI=1S/C22H31NO/c1-19-10-9-16-23(18-19)15-6-2-3-7-17-24-22-14-8-12-20-11-4-5-13-21(20)22/h4-5,8,11-14,19H,2-3,6-7,9-10,15-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272057 (CHEMBL4126193) Show SMILES C(CCCN1CCCCC1)CCOc1cccc2ccccc12 Show InChI InChI=1S/C21H29NO/c1(6-15-22-16-7-3-8-17-22)2-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272053 (CHEMBL4126145) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C20H27NO/c1-5-14-21(15-6-1)16-7-2-8-17-22-20-13-9-11-18-10-3-4-12-19(18)20/h3-4,9-13H,1-2,5-8,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272086 (CHEMBL4126104) Show SMILES C(CCOc1ccc2ccccc2c1)CCN1CCCCC1 Show InChI InChI=1S/C20H27NO/c1-5-13-21(14-6-1)15-7-2-8-16-22-20-12-11-18-9-3-4-10-19(18)17-20/h3-4,9-12,17H,1-2,5-8,13-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272077 (CHEMBL4128774) Show SMILES CC1CCCN(CCCCCCOc2ccc3ccccc3c2)C1 Show InChI InChI=1S/C22H31NO/c1-19-9-8-15-23(18-19)14-6-2-3-7-16-24-22-13-12-20-10-4-5-11-21(20)17-22/h4-5,10-13,17,19H,2-3,6-9,14-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272079 (CHEMBL4129344) Show SMILES C(CCOc1ccc2ccccc2c1)CCN1CCCCCC1 Show InChI InChI=1S/C21H29NO/c1-2-7-15-22(14-6-1)16-8-3-9-17-23-21-13-12-19-10-4-5-11-20(19)18-21/h4-5,10-13,18H,1-3,6-9,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272078 (CHEMBL4128623) Show SMILES C(CCCN1CCCCC1)CCOc1ccc2ccccc2c1 Show InChI InChI=1S/C21H29NO/c1(6-14-22-15-7-3-8-16-22)2-9-17-23-21-13-12-19-10-4-5-11-20(19)18-21/h4-5,10-13,18H,1-3,6-9,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272055 (CHEMBL4129084) Show SMILES C(CCCN1CCCCCC1)CCOc1cccc2ccccc12 Show InChI InChI=1S/C22H31NO/c1-2-8-17-23(16-7-1)18-9-3-4-10-19-24-22-15-11-13-20-12-5-6-14-21(20)22/h5-6,11-15H,1-4,7-10,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272055 (CHEMBL4129084) Show SMILES C(CCCN1CCCCCC1)CCOc1cccc2ccccc12 Show InChI InChI=1S/C22H31NO/c1-2-8-17-23(16-7-1)18-9-3-4-10-19-24-22-15-11-13-20-12-5-6-14-21(20)22/h5-6,11-15H,1-4,7-10,16-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [125I]-Nalpha-MeHA from full length recombinant human H3 receptor expressed in HEK293 cell membranes after 90 mins by scintillation c...				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272041 (CHEMBL4127379) Show SMILES C(CCCN1CCCCCC1)CCOc1ccc2ccccc2c1 Show InChI InChI=1S/C22H31NO/c1-2-8-16-23(15-7-1)17-9-3-4-10-18-24-22-14-13-20-11-5-6-12-21(20)19-22/h5-6,11-14,19H,1-4,7-10,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272051 (CHEMBL4129990) Show SMILES CC1CCN(CCCCCCOc2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C22H31NO/c1-19-12-15-23(16-13-19)14-6-2-3-7-17-24-22-11-10-20-8-4-5-9-21(20)18-22/h4-5,8-11,18-19H,2-3,6-7,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272052 (CHEMBL4129404) Show SMILES CC1CCN(CCCCCOc2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C21H29NO/c1-18-11-14-22(15-12-18)13-5-2-6-16-23-21-10-9-19-7-3-4-8-20(19)17-21/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272058 (CHEMBL4129490) Show SMILES CC1CCN(CCCCCCOc2cccc3ccccc23)CC1 Show InChI InChI=1S/C22H31NO/c1-19-13-16-23(17-14-19)15-6-2-3-7-18-24-22-12-8-10-20-9-4-5-11-21(20)22/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from full length human H3 receptor expressed in HEK293 cell membranes after 90 mins				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50272054 (CHEMBL4129589) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCCC1 Show InChI InChI=1S/C21H29NO/c1-2-7-16-22(15-6-1)17-8-3-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 1 hr				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50272053 (CHEMBL4126145) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C20H27NO/c1-5-14-21(15-6-1)16-7-2-8-17-22-20-13-9-11-18-10-3-4-12-19(18)20/h3-4,9-13H,1-2,5-8,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-5-carboxyamidotryptamine from human 5-HT7 receptor expressed in HEK293 cell membranes after 1 hr				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50272053 (CHEMBL4126145) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C20H27NO/c1-5-14-21(15-6-1)16-7-2-8-17-22-20-13-9-11-18-10-3-4-12-19(18)20/h3-4,9-13H,1-2,5-8,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell membranes after 1 hr				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50272054 (CHEMBL4129589) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCCC1 Show InChI InChI=1S/C21H29NO/c1-2-7-16-22(15-6-1)17-8-3-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO cell membranes after 1 hr				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50272054 (CHEMBL4129589) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCCC1 Show InChI InChI=1S/C21H29NO/c1-2-7-16-22(15-6-1)17-8-3-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-5-carboxyamidotryptamine from human 5-HT7 receptor expressed in HEK293 cell membranes after 1 hr				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50272053 (CHEMBL4126145) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C20H27NO/c1-5-14-21(15-6-1)16-7-2-8-17-22-20-13-9-11-18-10-3-4-12-19(18)20/h3-4,9-13H,1-2,5-8,14-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO cell membranes after 1 hr				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) by CYP3A4 P450-Glo assay				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272053 (CHEMBL4126145) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCC1 Show InChI InChI=1S/C20H27NO/c1-5-14-21(15-6-1)16-7-2-8-17-22-20-13-9-11-18-10-3-4-12-19(18)20/h3-4,9-13H,1-2,5-8,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human H3 receptor expressed in HEK293 cells assessed as inhibition of RAMH-induced reduction of forskolin-stimulated cAMP accu...				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50272054 (CHEMBL4129589) Show SMILES C(CCOc1cccc2ccccc12)CCN1CCCCCC1 Show InChI InChI=1S/C21H29NO/c1-2-7-16-22(15-6-1)17-8-3-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human H3 receptor expressed in HEK293 cells assessed as inhibition of RAMH-induced reduction of forskolin-stimulated cAMP accu...				Bioorg Med Chem 26: 2573-2585 (2018) Article DOI: 10.1016/j.bmc.2018.04.023 BindingDB Entry DOI: 10.7270/Q2TQ641P
					More data for this Ligand-Target Pair