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Articleid 50029899

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50289143
PNG
((5R,10R,14S)-17-(2-Hydroxy-1-methyl-ethyl)-10-meth...)
Show SMILES CC(CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=[N+]=[N-])C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H34N2O2/c1-13(12-25)15-6-7-16-14-4-5-18-20(24-23)19(26)9-11-22(18,3)17(14)8-10-21(15,16)2/h13-18,25H,4-12H2,1-3H3/t13?,14-,15+,16-,17-,18-,21+,22+/m0/s1
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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibitory activity of the compound was determined against rat prostatic Steroid 5-alpha-reductase type I


Bioorg Med Chem Lett 6: 883-884 (1996)


Article DOI: 10.1016/0960-894X(96)00136-9
BindingDB Entry DOI: 10.7270/Q24B319W
More data for this
Ligand-Target Pair
5α-Reductase 1 (5α-R1)


(Homo sapiens (Human))
BDBM50403612
PNG
(CHEMBL167774)
Show SMILES COc1cccc2c1CC[C@H]1[C-]([N+]#N)C(=O)CC[C@]21C
Show InChI InChI=1S/C16H18N2O2/c1-16-9-8-13(19)15(18-17)12(16)7-6-10-11(16)4-3-5-14(10)20-2/h3-5,12H,6-9H2,1-2H3/t12-,16+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibitory activity against human Steroid 5-alpha-reductase type I expressed in CHO cells


Bioorg Med Chem Lett 6: 883-884 (1996)


Article DOI: 10.1016/0960-894X(96)00136-9
BindingDB Entry DOI: 10.7270/Q24B319W
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50403612
PNG
(CHEMBL167774)
Show SMILES COc1cccc2c1CC[C@H]1[C-]([N+]#N)C(=O)CC[C@]21C
Show InChI InChI=1S/C16H18N2O2/c1-16-9-8-13(19)15(18-17)12(16)7-6-10-11(16)4-3-5-14(10)20-2/h3-5,12H,6-9H2,1-2H3/t12-,16+/m0/s1
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent inhibitory activity against human Steroid 5-alpha-reductase type 2 expressed in CHO cells


Bioorg Med Chem Lett 6: 883-884 (1996)


Article DOI: 10.1016/0960-894X(96)00136-9
BindingDB Entry DOI: 10.7270/Q24B319W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%