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BDBM50037912 (4aR,6aR)-7-(1,5-Dimethyl-hexyl)-1,4a,6a-trimethyl-hexadecahydro-indeno[5,4-f]quinolin-2-one::CHEMBL340027

SMILES: CC(C)CCCC(C)C1CCC2C3CCC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C

InChI Key: InChIKey=QASMLJURBZXYNW-IUHCEVCYSA-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 = 50037912   
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))
BDBM50037912
PNG
((4aR,6aR)-7-(1,5-Dimethyl-hexyl)-1,4a,6a-trimethyl...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H47NO/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-27(5,17-15-25(29)28(24)6)23(20)14-16-26(21,22)4/h18-24H,7-17H2,1-6H3/t19?,20?,21?,22?,23?,24?,26-,27-/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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))
BDBM50037912
PNG
((4aR,6aR)-7-(1,5-Dimethyl-hexyl)-1,4a,6a-trimethyl...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H47NO/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-27(5,17-15-25(29)28(24)6)23(20)14-16-26(21,22)4/h18-24H,7-17H2,1-6H3/t19?,20?,21?,22?,23?,24?,26-,27-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/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