BindingDB logo
myBDB logout

BDBM50037923 (4aR,6aR)-7-(1,5-Dimethyl-hexyl)-4a,6a-dimethyl-hexadecahydro-indeno[5,4-f]quinolin-2-one::CHEMBL340181

SMILES: CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=WJSKTFAFISQDLB-GFPCDNBESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50037923   
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))
BDBM50037923
PNG
((4aR,6aR)-7-(1,5-Dimethyl-hexyl)-4a,6a-dimethyl-he...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H45NO/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23-26(5,16-14-24(28)27-23)22(19)13-15-25(20,21)4/h17-23H,6-16H2,1-5H3,(H,27,28)/t18?,19?,20?,21?,22?,23?,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 218n/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))
BDBM50037923
PNG
((4aR,6aR)-7-(1,5-Dimethyl-hexyl)-4a,6a-dimethyl-he...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C26H45NO/c1-17(2)7-6-8-18(3)20-10-11-21-19-9-12-23-26(5,16-14-24(28)27-23)22(19)13-15-25(20,21)4/h17-23H,6-16H2,1-5H3,(H,27,28)/t18?,19?,20?,21?,22?,23?,25-,26-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/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