BDBM50330005 CHEMBL1271489::N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-4H-1,2,4-triazol-3-ylthio)acetamide

SMILES Cc1occc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1Cc1ccco1

InChI Key InChIKey=QRWIMPDPKYXNEE-UHFFFAOYSA-N

Data  2 KI  6 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 8 hits for monomerid = 50330005   

TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50330005(N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP1A2 by CYPEX bactosome P450 inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50330005(N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C9 by CYPEX bactosome P450 inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50330005(N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C19 by CYPEX bactosome P450 inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50330005(N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2D6 by CYPEX bactosome P450 inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50330005(N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP3A4 by CYPEX bactosome P450 inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50330005(N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of CYP3A4 using DEF substrate by CYPEX bactosome P450 inhibition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50330005(N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(...)
Affinity DataKi:  1.58nMAssay Description:Antagonist activity against human orexin 2 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50330005(N-(3,5-dimethylphenyl)-2-(4-(furan-2-ylmethyl)-5-(...)
Affinity DataKi:  794nMAssay Description:Antagonist activity against human orexin 1 receptor expressed in CHO cells assessed as effect in calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed