Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50005196   

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))	BDBM50410342 (CHEMBL195408) Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C#N Show InChI InChI=1S/C16H18N2O/c1-12-3-2-7-18(12)8-6-15-10-14-9-13(11-17)4-5-16(14)19-15/h4-5,9-10,12H,2-3,6-8H2,1H3/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Curated by ChEMBL					Assay Description Binding affinity to Homo sapiens (human) H3 receptor				Med Chem Res 22: 3640-3652 (2013) Article DOI: 10.1007/s00044-012-0372-8 BindingDB Entry DOI: 10.7270/Q2T156JZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50159110 (1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...) Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Curated by ChEMBL					Assay Description Binding affinity to Homo sapiens (human) H3 receptor				Med Chem Res 22: 3640-3652 (2013) Article DOI: 10.1007/s00044-012-0372-8 BindingDB Entry DOI: 10.7270/Q2T156JZ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50458224 (CHEMBL2297871) Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Curated by ChEMBL					Assay Description Binding affinity to Rattus norvegicus (rat) H3 receptor				Med Chem Res 22: 3640-3652 (2013) Article DOI: 10.1007/s00044-012-0372-8 BindingDB Entry DOI: 10.7270/Q2T156JZ
					More data for this Ligand-Target Pair