BDBM50584760 CHEMBL2068968

SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2

InChI Key InChIKey=YHPFWEDUGHFFTA-PNERCMSUSA-N

Data  2 KI  6 IC50

  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 = 50584760   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataKi:  250nMAssay Description:Inactivation of recombinant human CYP3A4 assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by beta-NADP a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataKi:  660nMAssay Description:Inactivation of CYP3A4 in human liver microsomes assessed as inhibition constant using midazolam as substrate preincubated for 5 mins followed by bet...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataIC50:  5.49E+3nMAssay Description:Time dependent inhibition of recombinant human CYP3A5 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataIC50:  90nMAssay Description:Time dependent inhibition of recombinant human CYP3A4 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A7(Homo sapiens)
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataIC50:  6.48E+4nMAssay Description:Time dependent inhibition of recombinant human CYP3A7 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataIC50:  1.56E+3nMAssay Description:Time dependent inhibition of recombinant human CYP3A4 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataIC50:  2.34E+3nMAssay Description:Time dependent inhibition of recombinant human CYP3A5 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system fo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A7(Homo sapiens)
Shanghai University Of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50584760(CHEMBL2068968)
Affinity DataIC50:  1.08E+4nMAssay Description:Time dependent inhibition of recombinant human CYP3A7 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed