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BDBM50120343 3-[(S)-8-Chloro-6-(2-fluoro-phenyl)-2-methyl-4H-3,5,10b-triaza-benzo[e]azulen-4-yl]-propionic acid methyl ester::CHEMBL320277

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cc(C)nc12

InChI Key: InChIKey=BRGDLUDFNXOQJE-SFHVURJKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120343   
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))
BDBM50120343
PNG
(3-[(S)-8-Chloro-6-(2-fluoro-phenyl)-2-methyl-4H-3,...)
Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cc(C)nc12
Show InChI InChI=1S/C22H19ClFN3O2/c1-13-12-27-19-9-7-14(23)11-16(19)21(15-5-3-4-6-17(15)24)26-18(22(27)25-13)8-10-20(28)29-2/h3-7,9,11-12,18H,8,10H2,1-2H3/t18-/m0/s1
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PC sid
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Patents


Similars

Article
PubMed
7n/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)


Article DOI: 10.1016/s0960-894x(02)00513-9
BindingDB Entry DOI: 10.7270/Q2GQ6X4F
More data for this
Ligand-Target Pair