Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50144625'   

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))	BDBM50144625 (1-[4-(5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-p...) Show SMILES NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1 Show InChI InChI=1S/C27H29ClN4O3/c28-23-11-9-22(10-12-23)26(21-6-2-1-3-7-21)31-18-16-30(17-19-31)20-25-14-13-24(35-25)8-4-5-15-32(34)27(29)33/h1-3,6-7,9-14,26,34H,5,15-20H2,(H2,29,33)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against histamine H1 receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50144625 (1-[4-(5-{4-[(R)-(4-Chloro-phenyl)-phenyl-methyl]-p...) Show SMILES NC(=O)N(O)CCC#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1 Show InChI InChI=1S/C27H29ClN4O3/c28-23-11-9-22(10-12-23)26(21-6-2-1-3-7-21)31-18-16-30(17-19-31)20-25-14-13-24(35-25)8-4-5-15-32(34)27(29)33/h1-3,6-7,9-14,26,34H,5,15-20H2,(H2,29,33)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Research Curated by ChEMBL					Assay Description In vitro binding affinity towards histamine H1 receptor expressed in CHO-K1 cells				Bioorg Med Chem Lett 14: 2265-8 (2004) Article DOI: 10.1016/j.bmcl.2004.02.005 BindingDB Entry DOI: 10.7270/Q2BV7G2P
					More data for this Ligand-Target Pair