BDBM50340426 16-Dehydropregnenolone acetate::CHEMBL1761683
SMILES: CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1
InChI Key: InChIKey=MZWRIOUCMXPLKV-RFOVXIPZSA-N
Data: 3 IC50
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 17A1 (Homo sapiens (Human)) | BDBM50340426 (16-Dehydropregnenolone acetate | CHEMBL1761683) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of human testicular 17-alpha-hydroxylase | J Med Chem 39: 4335-9 (1996) Article DOI: 10.1021/jm960245f BindingDB Entry DOI: 10.7270/Q2P84B07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 17A1 (Homo sapiens (Human)) | BDBM50340426 (16-Dehydropregnenolone acetate | CHEMBL1761683) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of human testicular steroid 17-alpha-hydroxylase | J Med Chem 39: 4335-9 (1996) Article DOI: 10.1021/jm960245f BindingDB Entry DOI: 10.7270/Q2P84B07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50340426 (16-Dehydropregnenolone acetate | CHEMBL1761683) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Drug Research Institute Curated by ChEMBL | Assay Description Inhibition of human DPP-4 assessed as cleavage of substrate using H-Gly-Pro-AMC chromogenic substrate after 10 mins by double beam spectrophotometer | Bioorg Med Chem Lett 21: 2232-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.112 BindingDB Entry DOI: 10.7270/Q2B858FH | |||||||||||
More data for this Ligand-Target Pair |