BDBM50372608 CHEMBL429736::GSK-221149A

SMILES CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C)C(=O)N3CCOCC3)C4Cc5ccccc5C4

InChI Key InChIKey=PLVGDGRBPMVYPB-UHFFFAOYSA-N

Data  5 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50372608   

TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50372608(GSK-221149A | CHEMBL429736)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetOxytocin receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50372608(GSK-221149A | CHEMBL429736)
Affinity DataKi:  1nMAssay Description:Binding affinity to human oxytocin receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOxytocin receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50372608(GSK-221149A | CHEMBL429736)
Affinity DataKi:  4.10nMAssay Description:Binding affinity to recombinant oxytocin receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVasopressin V2 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50372608(GSK-221149A | CHEMBL429736)
Affinity DataKi:  950nMAssay Description:Binding affinity to human vasopressin V2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetVasopressin V1b receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50372608(GSK-221149A | CHEMBL429736)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to human vasopressin V1b receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetVasopressin V1a receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50372608(GSK-221149A | CHEMBL429736)
Affinity DataKi: >1.20E+4nMAssay Description:Binding affinity to human vasopressin V1a receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed