BindingDB logo
myBDB logout

BDBM50025388 CHEMBL1790288::N,N-Diethyl-2-(1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-propionamide

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

InChI Key: InChIKey=AMMUGGRFIMMQNM-LOHHOHLDSA-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 = 50025388   
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)
BDBM50025388
PNG
(CHEMBL1790288 | N,N-Diethyl-2-(1,4a,6a-trimethyl-2...)
Show SMILES CCN(CC)C(=O)C(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H44N2O2/c1-7-28(8-2)24(30)17(3)19-10-11-20-18-9-12-22-26(5,16-14-23(29)27(22)6)21(18)13-15-25(19,20)4/h17-22H,7-16H2,1-6H3/t17?,18-,19+,20-,21-,22?,25+,26+/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50025388
PNG
(CHEMBL1790288 | N,N-Diethyl-2-(1,4a,6a-trimethyl-2...)
Show SMILES CCN(CC)C(=O)C(C)[C@H]1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C26H44N2O2/c1-7-28(8-2)24(30)17(3)19-10-11-20-18-9-12-22-26(5,16-14-23(29)27(22)6)21(18)13-15-25(19,20)4/h17-22H,7-16H2,1-6H3/t17?,18-,19+,20-,21-,22?,25+,26+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+4n/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