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BDBM21162 4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}pyridine::Pyridine-based ligand, 13

SMILES: Clc1ccc(Cn2cc(cn2)-c2ccncc2)c(Cl)c1

InChI Key: InChIKey=DCMHHJQTRGXPBA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 21162   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM21162
PNG
(4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}...)
Show SMILES Clc1ccc(Cn2cc(cn2)-c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3/c16-14-2-1-12(15(17)7-14)9-20-10-13(8-19-20)11-3-5-18-6-4-11/h1-8,10H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



AstraZeneca



Assay Description
The inhibition of recombinant human CYP2C9 was measured as the ability to perform a demethylation of 7-methoxy-4-trifluoromethylcoumarin (MFC). Befor...


J Med Chem 51: 1755-1763 (2008)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q20Z71KZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM21162
PNG
(4-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-4-yl}...)
Show SMILES Clc1ccc(Cn2cc(cn2)-c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2N3/c16-14-2-1-12(15(17)7-14)9-20-10-13(8-19-20)11-3-5-18-6-4-11/h1-8,10H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/a7.437



AstraZeneca



Assay Description
The inhibition of recombinant human CYP3A4 was measured as the ability to perform a debenzylation of 7-benzyloxy-4-trifluoromethylcoumarin (BFC). Bef...


J Med Chem 51: 1755-1763 (2008)


Article DOI: 10.1021/jm701121y
BindingDB Entry DOI: 10.7270/Q20Z71KZ
More data for this
Ligand-Target Pair