BDBM50458803 CHEMBL4213970

SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncn(C)n2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(OC(C)C)nc3)c2c1

InChI Key InChIKey=KPQQGHGDBBJGFA-QNGWXLTQSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50458803   

TargetCytochrome P450 2C8(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50458803(CHEMBL4213970)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin) co-incubated with substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50458803(CHEMBL4213970)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin) preincubated followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50458803(CHEMBL4213970)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) co-incubated with substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50458803(CHEMBL4213970)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) co-incubated with substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 1(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50458803(CHEMBL4213970)
Affinity DataIC50:  7nMAssay Description:Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assayMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50458803(CHEMBL4213970)
Affinity DataIC50:  1.70E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50458803(CHEMBL4213970)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) preincubated followed by substrate additionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase 3(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50458803(CHEMBL4213970)
Affinity DataIC50:  20nMAssay Description:Inhibition of ERK1 (unknown origin) using peptide substrate measured after 45 mins by IMAP assayMore data for this Ligand-Target Pair