BDBM50125979 CHEMBL3627899

SMILES Cc1ncn(n1)-c1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)c2nc3c(F)ccc(C)c3c(=O)[nH]2)c(Cl)c1

InChI Key InChIKey=JKMOLEWKZMQMRF-UHFFFAOYSA-N

Data  2 KI  5 IC50

  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 7 hits for monomerid = 50125979   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50125979(CHEMBL3627899)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50125979(CHEMBL3627899)
Affinity DataIC50: 4.28E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50125979(CHEMBL3627899)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50125979(CHEMBL3627899)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50125979(CHEMBL3627899)
Affinity DataIC50: 2.44E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2016
Entry Details Article
PubMed
TargetCoagulation factor IX(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50125979(CHEMBL3627899)
Affinity DataKi:  1nMAssay Description:Inhibition of human coagulation factor 9a using fluorescent peptide CH3SO2-D-CHG-Gly-Arg-AFC-AcoH as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2016
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50125979(CHEMBL3627899)
Affinity DataKi: >2.89E+4nMAssay Description:Inhibition of human coagulation factor 10a using fluorescent peptide nAcetyl-KPR-AFC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/12/2016
Entry Details Article
PubMed