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BDBM50025375 7-Acetyl-1,4a,6a,8-tetramethyl-hexadecahydro-indeno[5,4-f]quinolin-2-one::CHEMBL3349082::CHEMBL76759

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

InChI Key: InChIKey=YUEVEZWXYBGVTF-GTPVSOESSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50025375   
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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025375
PNG
(7-Acetyl-1,4a,6a,8-tetramethyl-hexadecahydro-inden...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O
Show InChI InChI=1S/C22H35NO2/c1-13-12-17-15-6-7-18-21(3,11-9-19(25)23(18)5)16(15)8-10-22(17,4)20(13)14(2)24/h13,15-18,20H,6-12H2,1-5H3/t13-,15?,16?,17?,18?,20?,21?,22?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/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)
BDBM50025375
PNG
(7-Acetyl-1,4a,6a,8-tetramethyl-hexadecahydro-inden...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O
Show InChI InChI=1S/C22H35NO2/c1-13-12-17-15-6-7-18-21(3,11-9-19(25)23(18)5)16(15)8-10-22(17,4)20(13)14(2)24/h13,15-18,20H,6-12H2,1-5H3/t13-,15?,16?,17?,18?,20?,21?,22?/m1/s1
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.40n/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