BDBM50181473 4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one::4-(4-(4-(4-(((5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)-tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-((2S,3S)-2-hydroxypentan-3-yl)-2H-1,2,4-triazol-3(4H)-one::4-[4-(4-{4-[(R)-5-(2,4-difluoro-phenyl)-5-(4,5-dihydro-[1,2,4]triazol-1-ylmethyl)-tetrahydro-furan-3-ylmethoxy]-phenyl}-piperazin-1-yl)-phenyl]-2-((1S,2S)-1-ethyl-2-hydroxy-propyl)-2,4-dihydro-[1,2,4]triazol-3-one::CHEMBL1397::Noxafil::POSACONAZOLE::pasaconazole

SMILES CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O

InChI Key InChIKey=RAGOYPUPXAKGKH-XAKZXMRKSA-N

Data  20 IC50  4 Kd

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50181473   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50181473(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Affinity DataIC50:  75nMAssay Description:Inhibition of CYP3A4 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50181473(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Affinity DataIC50:  1.09E+5nMAssay Description:Inhibition of CYP2C9 in human hepatocyte microsomes using diclofenac substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50181473(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Affinity DataIC50:  7.20E+3nMAssay Description:Inhibition of CYP2C19 in human hepatocyte microsomes using omeprazole substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B1, mitochondrial(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50181473(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Affinity DataIC50:  310nMAssay Description:Inhibition of CYP11B1 in human hepatocyte microsomes using deoxycortisol substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 11B2, mitochondrial(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50181473(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Affinity DataIC50:  21nMAssay Description:Inhibition of CYP11B2 in human hepatocyte microsomes using deoxycorticosteroid substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50181473(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Affinity DataIC50:  42nMAssay Description:Inhibition of CYP17 lyase in human hepatocyte microsomes using 17a-hydroxypregnenolone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid 17-alpha-hydroxylase/17,20 lyase(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50181473(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Affinity DataIC50:  1.80E+3nMAssay Description:Inhibition of CYP17 hydroxylase in human hepatocyte microsomes using pregnenolone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Viamet Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50181473(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Affinity DataIC50:  8.40E+3nMAssay Description:Inhibition of CYP19 in human hepatocyte microsomes using testosterone substrate by HPLC/MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed