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BDBM50037913 (4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-10-ethyl-4a,6a-dimethyl-hexadecahydro-indeno[5,4-f]quinolin-2-one::CHEMBL340684

SMILES: CC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C

InChI Key: InChIKey=MASOXJRADXYGSF-WOCATEOUSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50037913   
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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50037913
PNG
((4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-10-ethyl-4a,6...)
Show SMILES CC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C
Show InChI InChI=1S/C28H49NO/c1-7-20-17-24-28(6,16-14-25(30)29-24)23-13-15-27(5)21(11-12-22(27)26(20)23)19(4)10-8-9-18(2)3/h18-24,26H,7-17H2,1-6H3,(H,29,30)/t19?,20-,21?,22?,23?,24?,26?,27+,28+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of type 2 steroid-5-alpha-reductase


J Med Chem 37: 3871-4 (1994)


Article DOI: 10.1021/jm00049a003
BindingDB Entry DOI: 10.7270/Q2K35V8R
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50037913
PNG
((4aR,6aR,10S)-7-(1,5-Dimethyl-hexyl)-10-ethyl-4a,6...)
Show SMILES CC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(CCC3C12)C(C)CCCC(C)C
Show InChI InChI=1S/C28H49NO/c1-7-20-17-24-28(6,16-14-25(30)29-24)23-13-15-27(5)21(11-12-22(27)26(20)23)19(4)10-8-9-18(2)3/h18-24,26H,7-17H2,1-6H3,(H,29,30)/t19?,20-,21?,22?,23?,24?,26?,27+,28+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of type 1 steroid-5-alpha-reductase


J Med Chem 37: 3871-4 (1994)


Article DOI: 10.1021/jm00049a003
BindingDB Entry DOI: 10.7270/Q2K35V8R
More data for this
Ligand-Target Pair