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PubMed code 24951332

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
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Rattus norvegicus)		BDBM50046527
PNG
(CHEMBL3309454)
Show SMILES C\C1=C/CC\C(C)=C\CC(O)CC1 |c:1,t:6|
Show InChI InChI=1S/C12H20O/c1-10-4-3-5-11(2)7-9-12(13)8-6-10/h4,7,12-13H,3,5-6,8-9H2,1-2H3/b10-4+,11-7+
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n/an/a 1.50E+5n/an/an/an/an/an/a



Naresuan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver steroid 5-alpha-reductase assessed as inhibition of testosterone conversion to dihydrotestosterone incubated f...

Bioorg Med Chem Lett 24: 3526-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.057
BindingDB Entry DOI: 10.7270/Q2PG1TCW
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Rattus norvegicus)		BDBM50187243
PNG
(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r|
Show InChI InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
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PubMed
n/an/a 9.60E+5n/an/an/an/an/an/a



Naresuan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver steroid 5-alpha-reductase assessed as inhibition of testosterone conversion to dihydrotestosterone incubated f...

Bioorg Med Chem Lett 24: 3526-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.057
BindingDB Entry DOI: 10.7270/Q2PG1TCW
More data for this
Ligand-Target Pair
3-oxo-5-alpha-steroid 4-dehydrogenase 1


(Rattus norvegicus)		BDBM50046528
PNG
(CHEMBL3309453)
Show SMILES [#6]\[#6](-[#6])=[#6]-1/[#6]\[#6]=[#6](-[#6])/[#6]-[#6]\[#6]=[#6](-[#6])/[#6]-[#6]-1=O |t:5,10|
Show InChI InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8-,13-7-
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n/an/a 1.94E+6n/an/an/an/an/an/a



Naresuan University

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat liver steroid 5-alpha-reductase assessed as inhibition of testosterone conversion to dihydrotestosterone incubated f...

Bioorg Med Chem Lett 24: 3526-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.057
BindingDB Entry DOI: 10.7270/Q2PG1TCW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%