Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50034349   

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 H1 receptor (Homo sapiens (Human))	BDBM50360989 (CHEMBL1935416) Show SMILES CS(=O)(=O)CCCOc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C21H31NO4S/c1-27(23,24)15-3-14-25-19-6-7-20-17(16-19)8-9-21(26-20)10-12-22(13-11-21)18-4-2-5-18/h6-7,16,18H,2-5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50360974 (CHEMBL1935426) Show SMILES O=S1(=O)CCC(COc2ccc3OC4(CCN(CC4)C4CCC4)CCc3c2)CC1 Show InChI InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50360973 (CHEMBL1935425) Show SMILES O=S1(=O)CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 Show InChI InChI=1S/C22H31NO4S/c24-28(25)14-7-19(8-15-28)26-20-4-5-21-17(16-20)6-9-22(27-21)10-12-23(13-11-22)18-2-1-3-18/h4-5,16,18-19H,1-3,6-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 22: 186-9 (2011) Article DOI: 10.1016/j.bmcl.2011.11.038 BindingDB Entry DOI: 10.7270/Q2NS0VB8
					More data for this Ligand-Target Pair