BDBM50120360 3-[(S)-8-Chloro-6-(2-fluoro-phenyl)-1-methyl-4H-3,5,10b-triaza-benzo[e]azulen-4-yl]-propionic acid methyl ester::CHEMBL321824

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c(C)cnc12

InChI Key: InChIKey=GCVWKECVGWHUEU-SFHVURJKSA-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 = 50120360   

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))	BDBM50120360 (3-[(S)-8-Chloro-6-(2-fluoro-phenyl)-1-methyl-4H-3,...) Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c(C)cnc12 |t:7| Show InChI InChI=1S/C22H19ClFN3O2/c1-13-12-25-22-18(8-10-20(28)29-2)26-21(15-5-3-4-6-17(15)24)16-11-14(23)7-9-19(16)27(13)22/h3-7,9,11-12,18H,8,10H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against rat benzodiazepine (BZD) receptor				Bioorg Med Chem Lett 12: 3219-22 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X4F
					More data for this Ligand-Target Pair