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BDBM50025400 1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7'-perhydroindeno[5,4-f]quinoline]-2'-one::CHEMBL3349293::CHEMBL46138

SMILES: [H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C

InChI Key: InChIKey=CAJALTAVRYNFRC-BKEHXNCQSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50025400   
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


(Rattus norvegicus)
BDBM50025400
PNG
(1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H37NO2/c1-4-24-19-7-6-16-17(21(19,2)12-10-20(24)25)8-13-22(3)18(16)9-14-23(22)11-5-15-26-23/h16-19H,4-15H2,1-3H3/t16?,17?,18?,19?,21?,22?,23-/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase was determined


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025400
PNG
(1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H37NO2/c1-4-24-19-7-6-16-17(21(19,2)12-10-20(24)25)8-13-22(3)18(16)9-14-23(22)11-5-15-26-23/h16-19H,4-15H2,1-3H3/t16?,17?,18?,19?,21?,22?,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50025400
PNG
(1'-ethyl-4a',6a'-dimethylspiro[tetrahydrofuran-2,7...)
Show SMILES CN1C2CC[C@H]3[C@@H]4CC[C@@]5(CCCO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O
Show InChI InChI=1S/C23H37NO2/c1-4-24-19-7-6-16-17(21(19,2)12-10-20(24)25)8-13-22(3)18(16)9-14-23(22)11-5-15-26-23/h16-19H,4-15H2,1-3H3/t16?,17?,18?,19?,21?,22?,23-/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase


J Med Chem 29: 2298-315 (1986)


Article DOI: 10.1021/jm00161a028
BindingDB Entry DOI: 10.7270/Q2XG9RQR
More data for this
Ligand-Target Pair