BDBM50088503 CHEMBL3527048

SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12

InChI Key InChIKey=WDWIMDKOXZZYHH-FQEVSTJZSA-N

Data  4 KI  11 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50088503   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  120nMAssay Description:Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A4 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  170nMAssay Description:Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A4 in presence of human P450 oxidoreductase and b5 assessed as decreas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A5 in presence of human P450 oxidoreductase and b5 assessed as decreas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A5 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  7.70E+4nMAssay Description:Reversible inhibition of human CYP2C19 S-mephenytoin 4'-hydroxylase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  7.10E+4nMAssay Description:Reversible inhibition of human CYP2D6 dextromethorphan O-demethylase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  300nMAssay Description:Reversible inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A4 harboring human P450 oxidoreductase and b5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  690nMAssay Description:Reversible inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A4 in presence of human P450 oxidoreductase and b5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  1.70E+4nMAssay Description:Reversible inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A5 harboring human P450 oxidoreductase and b5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  7.10E+4nMAssay Description:Reversible inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A5 in presence of human P450 oxidoreductase and b5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A7 [T409R](Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  3.30E+4nMAssay Description:Reversible inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A7 harboring human P450 oxidoreductase and b5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  7.80E+4nMAssay Description:Reversible inhibition of human CYP2C8 paclitaxel 6alpha-hydroxylase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  8.80E+4nMAssay Description:Reversible inhibition of human CYP2B6 bupropion hydroxylase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50:  4.30E+4nMAssay Description:Reversible inhibition of human CYP1A2 phenacetin O-deethylase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50088503(CHEMBL3527048)
Affinity DataIC50: >1.00E+5nMAssay Description:Reversible inhibition of human CYP2C9 diclofenac 4'-hydroxylase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed