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BDBM50032773 (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 p-tolylamide::CHEMBL322592

SMILES: Cc1ccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)cc1

InChI Key: InChIKey=FSHSFSWCXDGVQS-UVEGVAQISA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032773   
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))
BDBM50032773
PNG
((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...)
Show SMILES Cc1ccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)cc1
Show InChI InChI=1S/C26H34N2O2/c1-16-4-6-17(7-5-16)27-24(30)21-10-9-19-18-8-11-22-26(3,15-13-23(29)28-22)20(18)12-14-25(19,21)2/h4-7,13,15,18-22H,8-12,14H2,1-3H3,(H,27,30)(H,28,29)/t18?,19?,20?,21?,22?,25-,26+/m0/s1
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.100n/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))
BDBM50032773
PNG
((4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,...)
Show SMILES Cc1ccc(NC(=O)C2CCC3C4CCC5NC(=O)C=C[C@]5(C)C4CC[C@]23C)cc1
Show InChI InChI=1S/C26H34N2O2/c1-16-4-6-17(7-5-16)27-24(30)21-10-9-19-18-8-11-22-26(3,15-13-23(29)28-22)20(18)12-14-25(19,21)2/h4-7,13,15,18-22H,8-12,14H2,1-3H3,(H,27,30)(H,28,29)/t18?,19?,20?,21?,22?,25-,26+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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