BDBM50465948 CHEMBL3629567

SMILES Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(F)c1

InChI Key InChIKey=YTJXXDVLDUKYHV-LJAQVGFWSA-N

Data  2 IC50  3 Kd

PDB links: 3 PDB IDs match this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50465948   

TargetSterol 14-alpha demethylase(Trypanosoma cruzi)
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50465948(CHEMBL3629567)
Affinity DataKd:  6.80nMAssay Description:Binding affinity to Trypanosoma cruzi Y CYP51A expressed in Escherichia coliMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPutative lanosterol 14-alpha-demethylase(Leishmania infantum)
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50465948(CHEMBL3629567)
Affinity DataKd:  8.40nMAssay Description:Binding affinity to Leishmania infantum CYP51 expressed in Escherichia coliMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50465948(CHEMBL3629567)
Affinity DataIC50: <500nMAssay Description:Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 min using [3H] lanosterol as substrate by HPLC analys...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50465948(CHEMBL3629567)
Affinity DataKd:  90nMAssay Description:Binding affinity to recombinant full length human CYP51 expressed in Escherichia coli incubated for 30 sec using [3H] labelled substrate by HPLC anal...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50465948(CHEMBL3629567)
Affinity DataIC50:  2.44E+4nMAssay Description:Inhibition of recombinant full length human CYP51 expressed in Escherichia coli incubated for 1 hr using [3H] lanosterol as substrate by HPLC analysi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB