new BindingDB logo
myBDB logout

BDBM50120361 3-((S)-7-Chloro-2-methylamino-5-pyridin-2-yl-3H-benzo[e][1,4]diazepin-3-yl)-propionic acid methyl ester::CHEMBL111701

SMILES: CNC1=Nc2ccc(Cl)cc2C(=N[C@H]1CCC(=O)OC)c1ccccn1

InChI Key: InChIKey=XNEFJYNPWYKTNA-INIZCTEOSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120361   
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))
BDBM50120361
PNG
(3-((S)-7-Chloro-2-methylamino-5-pyridin-2-yl-3H-be...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(=N[C@H]1CCC(=O)OC)c1ccccn1 |c:12,t:2|
Show InChI InChI=1S/C19H19ClN4O2/c1-21-19-16(8-9-17(25)26-2)23-18(15-5-3-4-10-22-15)13-11-12(20)6-7-14(13)24-19/h3-7,10-11,16H,8-9H2,1-2H3,(H,21,24)/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
1.08E+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