Reaction Details Report a problem with these data
Target
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Ligand
BDBM50039257
Substrate
n/a
Meas. Tech.
ChEMBL_88441 (CHEMBL701910)
Ki
9±n/a nM
Citation
Frye, SV; Haffner, CD; Maloney, PR; Mook, RA; Dorsey, GF; Hiner, RN; Batchelor, KW; Bramson, HN; Stuart, JD; Schweiker, SL 6-Azasteroids: potent dual inhibitors of human type 1 and 2 steroid 5 alpha-reductase. J Med Chem 36:4313-5 (1994) [PubMed] Article
More Info.:
Target
Name:
3-oxo-5-alpha-steroid 4-dehydrogenase 1
Synonyms:
3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 5α-Reductase 1 (5α-R1) | S5A1_HUMAN | S5AR | SR type 1 | SRD5A1 | Steroid 5-alpha-reductase | Steroid 5-alpha-reductase 1
Type:
Enzyme
Mol. Mass.:
29472.80
Organism:
Human
Description:
P18405
Residue:
259
Sequence:
MATATGVAEERLLAALAYLQCAVGCAVFARNRQTNSVYGRHALPSHRLRVPARAAWVVQELPSLALPLYQYASESAPRLRSAPNCILLAMFLVHYGHRCLIYPFLMRGGKPMPLLACTMAIMFCTCNGYLQSRYLSHCAVYADDWVTDPRFLIGFGLWLTGMLINIHSDHILRNLRKPGDTGYKIPRGGLFEYVTAANYFGEIMEWCGYALASWSVQGAAFAFFTFCFLSGRAKEHHEWYLRKFEEYPKFRKIIIPFLF
Inhibitor
Name:
BDBM50039257
Synonyms:
(1S,9aR,11aS)-9a,11a-Dimethyl-1-(3-methyl-butyryl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one | 9a,11a-Dimethyl-1-(3-methyl-butyryl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-cyclopenta[i]phenanthridin-7-one | CHEMBL420020
Type:
Small organic molecule
Emp. Form.:
C23H35NO2
Mol. Mass.:
357.5295
SMILES:
CC(C)CC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C |t:12|