BDBM50358193 CHEMBL1921977

SMILES CNC(=O)c1ccc2cc(ccc2c1)C1(O)CCn2cncc12

InChI Key InChIKey=OZPFIJIOIVJZMN-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50358193   

TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Rat)
Takeda Pharmaceutical

Curated by ChEMBL

LigandBDBM50358193(CHEMBL1921977)Copy SMILESCopy InChI

Affinity DataIC50:  54nMAssay Description:Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 m...More data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetCytochrome P450 3A4(Human)
Takeda Pharmaceutical

Curated by ChEMBL

LigandBDBM50358193(CHEMBL1921977)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 assessed as conversion of testosterone into 6-hydroxytestosterone after 30 mins by HPLC analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Human)
Takeda Pharmaceutical

Curated by ChEMBL

LigandBDBM50358193(CHEMBL1921977)Copy SMILESCopy InChI

Affinity DataIC50:  38nMAssay Description:Inhibition of 17,20-lyase activity of human CYP17A1More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL