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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

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120356   
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))
BDBM50120356
PNG
(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

PubMed
1.23E+3n/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