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BDBM50032779 (4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid biphenyl-4-ylamide::CHEMBL109089

SMILES: C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=SIQMJDUHKSDIAM-KXBKPWSGSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032779   
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))
BDBM50032779
PNG
((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c1-30-18-16-25-23(12-15-27-31(25,2)19-17-28(34)33-27)24(30)13-14-26(30)29(35)32-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,17,19,23-27H,12-16,18H2,1-2H3,(H,32,35)(H,33,34)/t23?,24?,25?,26?,27?,30-,31+/m0/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Steroid 5-alpha-reductase type 2


J Med Chem 38: 3189-92 (1995)


Article DOI: 10.1021/jm00017a001
BindingDB Entry DOI: 10.7270/Q2G161G8
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50032779
PNG
((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...)
Show SMILES C[C@]12CCC3C(CCC4NC(=O)C=C[C@]34C)C1CCC2C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c1-30-18-16-25-23(12-15-27-31(25,2)19-17-28(34)33-27)24(30)13-14-26(30)29(35)32-22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,17,19,23-27H,12-16,18H2,1-2H3,(H,32,35)(H,33,34)/t23?,24?,25?,26?,27?,30-,31+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Steroid 5-alpha-reductase type I


J Med Chem 38: 3189-92 (1995)


Article DOI: 10.1021/jm00017a001
BindingDB Entry DOI: 10.7270/Q2G161G8
More data for this
Ligand-Target Pair