BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50289703   
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 2C8


(Homo sapiens (Human))
BDBM50289703
PNG
(Lumacaftor | VRT 826809 | VRT-826809 | VX 809 | VX...)
Show SMILES Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Bristol Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 (unknown origin) assessed as reduction in amodiaquine N-deethylation


J Med Chem 63: 6315-6386 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01877
BindingDB Entry DOI: 10.7270/Q2NG4V6W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50289703
PNG
(Lumacaftor | VRT 826809 | VRT-826809 | VX 809 | VX...)
Show SMILES Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Bristol Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) assessed as reduction in diclofenac 4-hydroxylation


J Med Chem 63: 6315-6386 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01877
BindingDB Entry DOI: 10.7270/Q2NG4V6W
More data for this
Ligand-Target Pair