BDBM50576021 CHEMBL4573938

SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1

InChI Key InChIKey=HSVRUECLQUGTDS-UHFFFAOYSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50576021   

TargetS-adenosylmethionine synthase isoform type-2(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50576021(CHEMBL4573938)
Affinity DataIC50:  14nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ...More data for this Ligand-Target Pair
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50576021(CHEMBL4573938)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of UGT1A1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50576021(CHEMBL4573938)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50576021(CHEMBL4573938)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50576021(CHEMBL4573938)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50576021(CHEMBL4573938)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50576021(CHEMBL4573938)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed