BDBM50190528 (2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxo-1-piperazinyl]-N,N-dimethylethanamide::CHEMBL377414

SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

InChI Key InChIKey=KUYYTTWJIWYFTJ-UHFFFAOYSA-N

Data  4 KI  13 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 17 hits for monomerid = 50190528   

TargetOxytocin receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataKi:  0.0794nMAssay Description:Displacement of [3H]oxytocin from human oxytocin receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 3.70nMAssay Description:Agonist activity at human OTR expressed in CHO cells assessed as inhibition of oxytocin-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetVasopressin V2 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataKi:  39.8nMAssay Description:Displacement of [3H]vasopressin from human vasopressin V2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetVasopressin V1a receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataKi:  631nMAssay Description:Displacement of [3H]vasopressin from human vasopressin V1a receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human CYP3A4 using diethoxyfluorescein as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetVasopressin V1b receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataKi: >1.26E+4nMAssay Description:Displacement of [3H]vasopressin from human vasopressin V1b receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 3.10E+4nMAssay Description:Inhibition of human CYP3A4 using 7-benzyloxyquinoline as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 3.80E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibition of CYP450 2C9 transfected in human microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 6.20E+4nMAssay Description:Inhibition of CYP450 3A4 transfected in human microsome using PPR fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Cardiovascular and Urogenital Centre of Excellence For Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 6.40E+4nMAssay Description:Inhibition of CYP450 1A2 transfected in human microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 6.60E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 8.90E+4nMAssay Description:Inhibition of CYP450 3A4 transfected in human microsome using DEF fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP450 2D6 transfected in human microsome using DEF fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Cardiovascular and Urogenital Centre of Excellence For Drug Discovery

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50190528((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP450 2C19 transfected in human microsomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed