Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50545595'   

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))	BDBM50545595 (CHEMBL4633258) Show SMILES CCOC(=O)N1CC\C(C=C1)=C1\c2ccc(Cl)cc2CC(O)c2cccnc12 |c:9| Show InChI InChI=1S/C22H21ClN2O3/c1-2-28-22(27)25-10-7-14(8-11-25)20-17-6-5-16(23)12-15(17)13-19(26)18-4-3-9-24-21(18)20/h3-7,9-10,12,19,26H,2,8,11,13H2,1H3/b20-14-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human H1 histamine receptor expressed in CHO cells after 1 hr by calcium 5 dye-based FLIPR assay				J Med Chem 63: 7268-7292 (2020) Article DOI: 10.1021/acs.jmedchem.0c00483 BindingDB Entry DOI: 10.7270/Q2KP85RR
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