BDBM50040108 11-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid::CHEMBL334678

SMILES: OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCc4ccccc4C3)c2c1

InChI Key: InChIKey=QFSZUFOLEYHTBT-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040108   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040108 (11-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethylsulfa...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCc4ccccc4C3)c2c1 Show InChI InChI=1S/C26H25NO3S/c28-26(29)19-9-10-24-23(15-19)25(22-8-4-3-7-21(22)17-30-24)31-14-13-27-12-11-18-5-1-2-6-20(18)16-27/h1-10,15,25H,11-14,16-17H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair