Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50010316   

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))	BDBM50074629 (4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl...) Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1 Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM27213 (4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...) Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50093224 (CHEMBL309302 | Cyclopropyl-{4-[3-(1H-imidazol-4-yl...) Show SMILES OC(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H20N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12,16,19H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM22541 (Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...) Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12| Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50093225 (CHEMBL76440 | Cyclopropyl-{4-[2-(1H-imidazol-4-yl)...) Show SMILES O=C(C1CC1)c1ccc(OCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C15H16N2O2/c18-15(11-1-2-11)12-3-5-14(6-4-12)19-8-7-13-9-16-10-17-13/h3-6,9-11H,1-2,7-8H2,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50067472 (4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole | 4-...) Show SMILES C#Cc1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H14N2O/c1-2-12-5-7-14(8-6-12)17-9-3-4-13-10-15-11-16-13/h1,5-8,10-11H,3-4,9H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
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	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50091376 (CHEMBL116270 | CHEMBL80348 | Cyclopropyl-{4-[3-(1H...) Show SMILES O=NC(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H19N3O2/c20-19-16(12-3-4-12)13-5-7-15(8-6-13)21-9-1-2-14-10-17-11-18-14/h5-8,10-12,16H,1-4,9H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50093222 (4-Hydroxy-1-{4-[3-(1H-imidazol-4-yl)-propoxy]-phen...) Show SMILES OCCCC(=O)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H20N2O3/c19-9-1-4-16(20)13-5-7-15(8-6-13)21-10-2-3-14-11-17-12-18-14/h5-8,11-12,19H,1-4,9-10H2,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50093226 (3-(2-{4-[3-(1H-Imidazol-4-yl)-propoxy]-phenyl}-[1,...) Show SMILES OCCCC1(OCCO1)c1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C18H24N2O4/c21-9-2-8-18(23-11-12-24-18)15-4-6-17(7-5-15)22-10-1-3-16-13-19-14-20-16/h4-7,13-14,21H,1-3,8-12H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50093221 (4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole | CHEM...) Show SMILES CCCCc1ccc(OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C16H22N2O/c1-2-3-5-14-7-9-16(10-8-14)19-11-4-6-15-12-17-13-18-15/h7-10,12-13H,2-6,11H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50093220 (CHEMBL77039 | Cyclopropyl-{4-[4-(1H-imidazol-4-yl)...) Show SMILES O=C(C1CC1)c1ccc(OCCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C17H20N2O2/c20-17(13-4-5-13)14-6-8-16(9-7-14)21-10-2-1-3-15-11-18-12-19-15/h6-9,11-13H,1-5,10H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50093219 (CHEMBL78981 | Cyclopropyl-[4-(1H-imidazol-4-ylmeth...) Show SMILES O=C(C1CC1)c1ccc(OCc2cnc[nH]2)cc1 Show InChI InChI=1S/C14H14N2O2/c17-14(10-1-2-10)11-3-5-13(6-4-11)18-8-12-7-15-9-16-12/h3-7,9-10H,1-2,8H2,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...				Bioorg Med Chem Lett 10: 2379-82 (2001) BindingDB Entry DOI: 10.7270/Q28G8JZ4
					More data for this Ligand-Target Pair