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BDBM50120350 3-[(S)-2-Benzylamino-7-chloro-5-(2-fluoro-phenyl)-3H-benzo[e][1,4]diazepin-3-yl]-propionic acid methyl ester::CHEMBL109694

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCc1ccccc1

InChI Key: InChIKey=ZSYGEXDWGPENEH-QHCPKHFHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120350   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50120350
PNG
(3-[(S)-2-Benzylamino-7-chloro-5-(2-fluoro-phenyl)-...)
Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCc1ccccc1 |c:25,t:7|
Show InChI InChI=1S/C26H23ClFN3O2/c1-33-24(32)14-13-23-26(29-16-17-7-3-2-4-8-17)31-22-12-11-18(27)15-20(22)25(30-23)19-9-5-6-10-21(19)28/h2-12,15,23H,13-14,16H2,1H3,(H,29,31)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
875n/an/an/an/an/an/an/an/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