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BDBM50031903 (1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid (4,4'-di-tert-butyl-biphenyl-3-yl)-amide::CHEMBL87805

SMILES: CC(C)(C)c1ccc(cc1)-c1ccc(c(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)c1)C(C)(C)C

InChI Key: InChIKey=LKJBSPFTVQHVNZ-NYSZNEGGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031903   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50031903
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(c(NC(=O)[C@H]2CCC3C4CN=C5CC(=O)CC[C@]5(C)C4CC[C@]23C)c1)C(C)(C)C
Show InChI InChI=1S/C39H52N2O2/c1-36(2,3)26-12-9-24(10-13-26)25-11-14-31(37(4,5)6)33(21-25)41-35(43)32-16-15-29-28-23-40-34-22-27(42)17-19-39(34,8)30(28)18-20-38(29,32)7/h9-14,21,28-30,32H,15-20,22-23H2,1-8H3,(H,41,43)/t28?,29?,30?,32-,38+,39-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant steroid 5-alpha-reductase type I


J Med Chem 38: 2621-7 (1995)


Article DOI: 10.1021/jm00014a015
BindingDB Entry DOI: 10.7270/Q2C829XC
More data for this
Ligand-Target Pair