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PubMed code 29461823

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50244503
PNG
(CHEMBL4078293)
Show SMILES [O-][N+](=O)c1cn2C[C@H](COc2n1)Oc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C13H10F3N3O5/c14-13(15,16)24-9-3-1-8(2-4-9)23-10-5-18-6-11(19(20)21)17-12(18)22-7-10/h1-4,6,10H,5,7H2/t10-/m1/s1
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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by automated patch clamp method


J Med Chem 61: 2329-2352 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01581
BindingDB Entry DOI: 10.7270/Q2CC133S
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50244503
PNG
(CHEMBL4078293)
Show SMILES [O-][N+](=O)c1cn2C[C@H](COc2n1)Oc1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C13H10F3N3O5/c14-13(15,16)24-9-3-1-8(2-4-9)23-10-5-18-6-11(19(20)21)17-12(18)22-7-10/h1-4,6,10H,5,7H2/t10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes assessed as decrease in formation of 6beta-hydroxytestosterone from testosterone after 10 mins by LC-M...


J Med Chem 61: 2329-2352 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01581
BindingDB Entry DOI: 10.7270/Q2CC133S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%