BDBM50040112 11-[2-(4-Benzyl-piperazin-1-yl)-ethylsulfanyl]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid::CHEMBL134543

SMILES: OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCN(Cc4ccccc4)CC3)c2c1

InChI Key: InChIKey=AAGQTOSVLSYVDV-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 = 50040112   

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))	BDBM50040112 (11-[2-(4-Benzyl-piperazin-1-yl)-ethylsulfanyl]-6,1...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCN(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C28H30N2O3S/c31-28(32)22-10-11-26-25(18-22)27(24-9-5-4-8-23(24)20-33-26)34-17-16-29-12-14-30(15-13-29)19-21-6-2-1-3-7-21/h1-11,18,27H,12-17,19-20H2,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	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