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BDBM50120354 3-((S)-8-Chloro-1,2-dimethyl-6-pyridin-2-yl-4H-3,5,10b-triaza-benzo[e]azulen-4-yl)-propionic acid methyl ester::CHEMBL111030

SMILES: COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c(C)c(C)nc12

InChI Key: InChIKey=FJYMKPSNPVCHLQ-SFHVURJKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120354   
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))
BDBM50120354
PNG
(3-((S)-8-Chloro-1,2-dimethyl-6-pyridin-2-yl-4H-3,5...)
Show SMILES COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c(C)c(C)nc12 |t:7|
Show InChI InChI=1S/C22H21ClN4O2/c1-13-14(2)27-19-9-7-15(23)12-16(19)21(17-6-4-5-11-24-17)26-18(22(27)25-13)8-10-20(28)29-3/h4-7,9,11-12,18H,8,10H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
130n/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