BDBM50240713 CHEMBL4066318

SMILES Cn1c(nc2ccc(\C=C\C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)cc12)C1(CCC1)NC(=O)c1ccc2c(C3CCCC3)c(-c3ncc(Br)cn3)n(C)c2c1

InChI Key InChIKey=LBTRYOOWSNZONU-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50240713   

TargetCytochrome P450 2C8(Human)
Celgene

Curated by ChEMBL
LigandPNGBDBM50240713(CHEMBL4066318)
Affinity DataKi:  22nMAssay Description:Reversible inhibition of CYP2C8 in human liver microsomes after 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Celgene

Curated by ChEMBL
LigandPNGBDBM50240713(CHEMBL4066318)
Affinity DataKi:  52nMAssay Description:Time dependent inhibition of CYP2C8 in human liver microsomes after 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Celgene

Curated by ChEMBL
LigandPNGBDBM50240713(CHEMBL4066318)
Affinity DataKi:  5.46E+4nMAssay Description:Inactivation of CYP1A2 in human liver microsomes after 5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2019
Entry Details Article
PubMed