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BDBM50120353 3-[(S)-8-Chloro-6-(2-fluoro-phenyl)-4H-3,5,10b-triaza-benzo[e]azulen-4-yl]-propionic acid methyl ester::CHEMBL111633

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2ccnc12

InChI Key: InChIKey=SWYFQJGWUBNZHT-KRWDZBQOSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120353   
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))
BDBM50120353
PNG
(3-[(S)-8-Chloro-6-(2-fluoro-phenyl)-4H-3,5,10b-tri...)
Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2ccnc12
Show InChI InChI=1S/C21H17ClFN3O2/c1-28-19(27)9-7-17-21-24-10-11-26(21)18-8-6-13(22)12-15(18)20(25-17)14-4-2-3-5-16(14)23/h2-6,8,10-12,17H,7,9H2,1H3/t17-/m0/s1
PDB

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PC cid
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