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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 125 (CYP125) (Mycobacterium tuberculosis) | BDBM92505 (4-Cholesten-3-one | Steroid scaffold, 14) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
Manchester Interdisciplinary Biocentre | Assay 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... | J Biol Chem 285: 38270-82 (2010) Article DOI: 10.1074/jbc.M110.164293 BindingDB Entry DOI: 10.7270/Q2251GR0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Ghrelin O-acyltransferase (Homo sapiens (Human)) | BDBM92505 (4-Cholesten-3-one | Steroid scaffold, 14) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Syracuse University | Assay 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... | Biochemistry 56: 919-931 (2017) Article DOI: 10.1021/acs.biochem.6b01008 BindingDB Entry DOI: 10.7270/Q270808D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 142 (CYP142) (Mycobacterium tuberculosis) | BDBM92505 (4-Cholesten-3-one | Steroid scaffold, 14) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a |
Manchester Interdisciplinary Biocentre | Assay 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... | J Biol Chem 285: 38270-82 (2010) Article DOI: 10.1074/jbc.M110.164293 BindingDB Entry DOI: 10.7270/Q2251GR0 | |||||||||||
More data for this Ligand-Target Pair |