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BDBM50025415 CHEMBL296766::CHEMBL3349288::N,N-Diethyl-2-(1,4a,6a-trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-ylidene)-acetamide

SMILES: CCN(CC)C(=O)\C=C1/CCC2C3CCC4N(C)C(=O)CCC4(C)C3CCC12C

InChI Key: InChIKey=XZGUOAXOYPYCGD-WUKNDPDISA-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 = 50025415   
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)
BDBM50025415
PNG
(CHEMBL296766 | CHEMBL3349288 | N,N-Diethyl-2-(1,4a...)
Show SMILES CCN(CC)C(=O)\C=C1/CCC2C3CCC4N(C)C(=O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C25H40N2O2/c1-6-27(7-2)23(29)16-17-8-10-19-18-9-11-21-25(4,15-13-22(28)26(21)5)20(18)12-14-24(17,19)3/h16,18-21H,6-15H2,1-5H3/b17-16+
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/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))
BDBM50025415
PNG
(CHEMBL296766 | CHEMBL3349288 | N,N-Diethyl-2-(1,4a...)
Show SMILES CCN(CC)C(=O)\C=C1/CCC2C3CCC4N(C)C(=O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C25H40N2O2/c1-6-27(7-2)23(29)16-17-8-10-19-18-9-11-21-25(4,15-13-22(28)26(21)5)20(18)12-14-24(17,19)3/h16,18-21H,6-15H2,1-5H3/b17-16+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 930n/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