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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C19' and Monomerid = 50056190   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50056190
PNG
(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Show SMILES CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Show InChI InChI=1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



University of Liverpool

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 52: 1828-44 (2009)


Article DOI: 10.1021/jm8012757
BindingDB Entry DOI: 10.7270/Q21Z45C3
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50056190
PNG
(4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...)
Show SMILES CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Show InChI InChI=1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



University of Liverpool

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19


J Med Chem 52: 1408-15 (2010)


Article DOI: 10.1021/jm8012618
BindingDB Entry DOI: 10.7270/Q2348KCX
More data for this
Ligand-Target Pair