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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50364336   
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 3A


(Homo sapiens (Human))
BDBM50364336
PNG
(CHEMBL1950088)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccnc(F)c3)c12
Show InChI InChI=1S/C18H14ClFN4O/c1-8-5-11(19)7-12-15(17(25)10-3-4-21-13(20)6-10)14-9(2)23-24-18(14)22-16(8)12/h3-7,17,25H,1-2H3,(H,22,23,24)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP3A4


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50364336
PNG
(CHEMBL1950088)
Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccnc(F)c3)c12
Show InChI InChI=1S/C18H14ClFN4O/c1-8-5-11(19)7-12-15(17(25)10-3-4-21-13(20)6-10)14-9(2)23-24-18(14)22-16(8)12/h3-7,17,25H,1-2H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4


Bioorg Med Chem Lett 22: 1335-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.080
BindingDB Entry DOI: 10.7270/Q2RF5VGF
More data for this
Ligand-Target Pair