BDBM50120356 3-{(S)-7-Chloro-5-(2-fluoro-phenyl)-2-[(pyridin-4-ylmethyl)-amino]-3H-benzo[e][1,4]diazepin-3-yl}-propionic acid methyl ester::CHEMBL109187

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCc1ccncc1

InChI Key: InChIKey=UANMLAPAUQRVHJ-QFIPXVFZSA-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 = 50120356   

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
Translocator protein (Rattus norvegicus (rat))	BDBM50120356 (3-{(S)-7-Chloro-5-(2-fluoro-phenyl)-2-[(pyridin-4-...) Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCc1ccncc1 |c:25,t:7| Show InChI InChI=1S/C25H22ClFN4O2/c1-33-23(32)9-8-22-25(29-15-16-10-12-28-13-11-16)31-21-7-6-17(26)14-19(21)24(30-22)18-4-2-3-5-20(18)27/h2-7,10-14,22H,8-9,15H2,1H3,(H,29,31)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.23E+3	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