Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50002787   

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))	BDBM50462996 (CHEMBL4242249) Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3ccc4ccccc4c3)c2n1 Show InChI InChI=1S/C27H30ClN5/c28-27-29-25(32-15-10-23(11-16-32)31-13-4-1-5-14-31)24-12-17-33(26(24)30-27)19-20-8-9-21-6-2-3-7-22(21)18-20/h2-3,6-9,12,17-18,23H,1,4-5,10-11,13-16,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Cat£lica de Chile Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human H3 receptor				Bioorg Med Chem Lett 28: 2890-2893 (2018) Article DOI: 10.1016/j.bmcl.2018.07.023 BindingDB Entry DOI: 10.7270/Q2GH9MM2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50462998 (CHEMBL4241911) Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3cccc4ccccc34)c2n1 Show InChI InChI=1S/C27H30ClN5/c28-27-29-25(32-16-11-22(12-17-32)31-14-4-1-5-15-31)24-13-18-33(26(24)30-27)19-21-9-6-8-20-7-2-3-10-23(20)21/h2-3,6-10,13,18,22H,1,4-5,11-12,14-17,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Cat£lica de Chile Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human H3 receptor				Bioorg Med Chem Lett 28: 2890-2893 (2018) Article DOI: 10.1016/j.bmcl.2018.07.023 BindingDB Entry DOI: 10.7270/Q2GH9MM2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50462997 (CHEMBL4239928) Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3ccccc3)c2n1 Show InChI InChI=1S/C23H28ClN5/c24-23-25-21(28-14-9-19(10-15-28)27-12-5-2-6-13-27)20-11-16-29(22(20)26-23)17-18-7-3-1-4-8-18/h1,3-4,7-8,11,16,19H,2,5-6,9-10,12-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Cat£lica de Chile Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human H3 receptor				Bioorg Med Chem Lett 28: 2890-2893 (2018) Article DOI: 10.1016/j.bmcl.2018.07.023 BindingDB Entry DOI: 10.7270/Q2GH9MM2
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50462999 (CHEMBL4242697) Show SMILES Clc1nc(N2CCC(CC2)N2CCOCC2)c2ccn(Cc3ccccc3)c2n1 Show InChI InChI=1S/C22H26ClN5O/c23-22-24-20(27-9-6-18(7-10-27)26-12-14-29-15-13-26)19-8-11-28(21(19)25-22)16-17-4-2-1-3-5-17/h1-5,8,11,18H,6-7,9-10,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Cat£lica de Chile Curated by ChEMBL					Assay Description Displacement of [3H]Nalpha-methylhistamine from human H3 receptor				Bioorg Med Chem Lett 28: 2890-2893 (2018) Article DOI: 10.1016/j.bmcl.2018.07.023 BindingDB Entry DOI: 10.7270/Q2GH9MM2
					More data for this Ligand-Target Pair