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BDBM50120348 3-[(S)-7-Chloro-5-(2-fluoro-phenyl)-2-isobutylamino-3H-benzo[e][1,4]diazepin-3-yl]-propionic acid methyl ester::CHEMBL110953

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCC(C)C

InChI Key: InChIKey=LABJSQIPPYBZHJ-FQEVSTJZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120348   
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))
BDBM50120348
PNG
(3-[(S)-7-Chloro-5-(2-fluoro-phenyl)-2-isobutylamin...)
Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCC(C)C |c:25,t:7|
Show InChI InChI=1S/C23H25ClFN3O2/c1-14(2)13-26-23-20(10-11-21(29)30-3)27-22(16-6-4-5-7-18(16)25)17-12-15(24)8-9-19(17)28-23/h4-9,12,14,20H,10-11,13H2,1-3H3,(H,26,28)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.01E+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