BDBM50120345 3-[(S)-7-Chloro-5-(2-fluoro-phenyl)-2-methylamino-3H-benzo[e][1,4]diazepin-3-yl]-propionic acid methyl ester::CHEMBL109507

SMILES: CNC1=Nc2ccc(Cl)cc2C(=N[C@H]1CCC(=O)OC)c1ccccc1F

InChI Key: InChIKey=GBLHSUPBJDLBCT-KRWDZBQOSA-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 = 50120345   

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))	BDBM50120345 (3-[(S)-7-Chloro-5-(2-fluoro-phenyl)-2-methylamino-...) Show SMILES CNC1=Nc2ccc(Cl)cc2C(=N[C@H]1CCC(=O)OC)c1ccccc1F |c:12,t:2| Show InChI InChI=1S/C20H19ClFN3O2/c1-23-20-17(9-10-18(26)27-2)24-19(13-5-3-4-6-15(13)22)14-11-12(21)7-8-16(14)25-20/h3-8,11,17H,9-10H2,1-2H3,(H,23,25)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	96	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