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BDBM50120359 3-((S)-8-Chloro-2-methyl-6-pyridin-2-yl-4H-3,5,10b-triaza-benzo[e]azulen-4-yl)-propionic acid methyl ester::CHEMBL325802

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2cc(C)nc12

InChI Key: InChIKey=RUNNVRAUZDLQQZ-KRWDZBQOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120359   
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))
BDBM50120359
PNG
(3-((S)-8-Chloro-2-methyl-6-pyridin-2-yl-4H-3,5,10b...)
Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2cc(C)nc12 |t:7|
Show InChI InChI=1S/C21H19ClN4O2/c1-13-12-26-18-8-6-14(22)11-15(18)20(16-5-3-4-10-23-16)25-17(21(26)24-13)7-9-19(27)28-2/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

PubMed
60n/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