Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50240514'   

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))	BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe Universit£t Curated by ChEMBL					Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 538-42 (2008) Article DOI: 10.1016/j.bmcl.2008.09.012 BindingDB Entry DOI: 10.7270/Q25H7H6W
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Antagonist activity at H1 receptor in human HeLa cells assessed as inhibition of histamine-induced Ca2+ release by using fura-2AM-based fluorescence ...				J Med Chem 55: 7054-60 (2012) Article DOI: 10.1021/jm300671m BindingDB Entry DOI: 10.7270/Q2FN17BZ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Antagonist activity at H1 receptor in human HeLa cells assessed as inhibition of histamine-induced Ca2+ release by using fura-2AM-based fluorescence ...				J Med Chem 55: 7054-60 (2012) Article DOI: 10.1021/jm300671m BindingDB Entry DOI: 10.7270/Q2FN17BZ
					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting				J Med Chem 55: 7054-60 (2012) Article DOI: 10.1021/jm300671m BindingDB Entry DOI: 10.7270/Q2FN17BZ
					More data for this Ligand-Target Pair