Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50435344'   

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))	BDBM50435344 (CHEMBL2391541) Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1 Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Alexander Shulgin Research Institute Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay				Bioorg Med Chem Lett 26: 959-64 (2016) Article DOI: 10.1016/j.bmcl.2015.12.053 BindingDB Entry DOI: 10.7270/Q24F1SKV
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50435344 (CHEMBL2391541) Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1 Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	936	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting an...				Bioorg Med Chem Lett 23: 3411-5 (2013) Article DOI: 10.1016/j.bmcl.2013.03.066 BindingDB Entry DOI: 10.7270/Q2474C7G
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50435344 (CHEMBL2391541) Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1 Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	936	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCL School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting an...				Bioorg Med Chem Lett 23: 3411-5 (2013) Article DOI: 10.1016/j.bmcl.2013.03.066 BindingDB Entry DOI: 10.7270/Q2474C7G
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50435344 (CHEMBL2391541) Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1 Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
The Alexander Shulgin Research Institute Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay				Bioorg Med Chem Lett 26: 959-64 (2016) Article DOI: 10.1016/j.bmcl.2015.12.053 BindingDB Entry DOI: 10.7270/Q24F1SKV
					More data for this Ligand-Target Pair