BDBM92505 4-Cholesten-3-one::Steroid scaffold, 14

SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key InChIKey=NYOXRYYXRWJDKP-GYKMGIIDSA-N

Data  1 IC50  2 Kd

PDB links: 7 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 92505   

TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM92505(4-Cholesten-3-one | Steroid scaffold, 14)
Affinity DataKd:  1.20E+3nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair
TargetGhrelin O-acyltransferase(Homo sapiens (Human))
Syracuse University

LigandPNGBDBM92505(4-Cholesten-3-one | Steroid scaffold, 14)
Affinity DataIC50: >1.00E+6nMpH: 7.0 T: 2°CAssay Description:Assays were performed with ~100 μg of membrane protein, as determined by a Bradford assay. The membrane fraction was preincubated with 1 μM met...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroid C26-monooxygenase(Mycobacterium tuberculosis)
Manchester Interdisciplinary Biocentre

LigandPNGBDBM92505(4-Cholesten-3-one | Steroid scaffold, 14)
Affinity DataKd:  360nMAssay Description:Substrate and ligand binding assay using UV- visible absorbance analysis of CYP142 was done on a Cary UV-50 UV-visible scanning spectrophotometer (Va...More data for this Ligand-Target Pair