BDBM50052309 Acetic acid (4R,5R)-7-chloro-1-dimethylaminomethyl-5-(4-methoxy-phenyl)-4,5-dihydro-6-thia-10b-aza-benzo[e]azulen-4-yl ester::CHEMBL318007

SMILES: COc1ccc(cc1)[C@H]1Sc2c(Cl)cccc2-n2c(CN(C)C)ccc2[C@H]1OC(C)=O

InChI Key: InChIKey=FCWZZAMGWBLKIS-DHIUTWEWSA-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 = 50052309   

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
Peripheral-Type Benzodiazepine Receptor (Rattus norvegicus (rat))	BDBM50052309 (Acetic acid (4R,5R)-7-chloro-1-dimethylaminomethyl...) Show SMILES COc1ccc(cc1)[C@H]1Sc2c(Cl)cccc2-n2c(CN(C)C)ccc2[C@H]1OC(C)=O Show InChI InChI=1S/C24H25ClN2O3S/c1-15(28)30-22-20-13-10-17(14-26(2)3)27(20)21-7-5-6-19(25)24(21)31-23(22)16-8-11-18(29-4)12-9-16/h5-13,22-23H,14H2,1-4H3/t22-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate				J Med Chem 39: 2922-38 (1996) Article DOI: 10.1021/jm960162z BindingDB Entry DOI: 10.7270/Q2HH6KQ5
					More data for this Ligand-Target Pair