BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12 hits of ph data with Target = '5-alpha-Reductase (5α-Reductase)'   
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
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM233039
PNG
(Finasteride (3))
Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=C[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14?,15?,16?,17?,18?,22-,23+/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.5n/an/an/an/a6.537



Universidad Nacional Autónoma de México



Assay Description
The reaction mixture contained a final volume of 1 mL: 1 mM dithiothreitol, sodium phosphate buffer 40 mM, at pH 6.5 for human prostate, 2 mM NADPH, ...


J Enzyme Inhib Med Chem 25: 306-11 (2010)


Article DOI: 10.3109/14756360903179401
BindingDB Entry DOI: 10.7270/Q2G15ZQ6
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM233040
PNG
(17α-Acetoxyprogesterone (6))
Show SMILES CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
Show InChI InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18?,19?,20?,21-,22-,23-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/a6.537



Universidad Nacional Autónoma de México



Assay Description
The reaction mixture contained a final volume of 1 mL: 1 mM dithiothreitol, sodium phosphate buffer 40 mM, at pH 6.5 for human prostate, 2 mM NADPH, ...


J Enzyme Inhib Med Chem 25: 306-11 (2010)


Article DOI: 10.3109/14756360903179401
BindingDB Entry DOI: 10.7270/Q2G15ZQ6
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM233041
PNG
(3,20-Dioxopregna-4,6-dien-17α-yl acetate (7))
Show SMILES CC(=O)O[C@@]1(CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
Show InChI InChI=1S/C23H30O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h5-6,13,18-20H,7-12H2,1-4H3/t18?,19?,20?,21-,22-,23-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/a6.537



Universidad Nacional Autónoma de México



Assay Description
The reaction mixture contained a final volume of 1 mL: 1 mM dithiothreitol, sodium phosphate buffer 40 mM, at pH 6.5 for human prostate, 2 mM NADPH, ...


J Enzyme Inhib Med Chem 25: 306-11 (2010)


Article DOI: 10.3109/14756360903179401
BindingDB Entry DOI: 10.7270/Q2G15ZQ6
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM233042
PNG
(3,20-Dioxo-6,7-epoxypregn-4-ene-7α-yl acetate...)
Show SMILES CC(=O)O[C@@]1(CCC2C3[C@@H]4O[C@@H]4C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
Show InChI InChI=1S/C23H30O5/c1-12(24)23(28-13(2)25)10-7-16-18-15(6-9-22(16,23)4)21(3)8-5-14(26)11-17(21)19-20(18)27-19/h11,15-16,18-20H,5-10H2,1-4H3/t15?,16?,18?,19-,20+,21-,22+,23+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/a6.537



Universidad Nacional Autónoma de México



Assay Description
The reaction mixture contained a final volume of 1 mL: 1 mM dithiothreitol, sodium phosphate buffer 40 mM, at pH 6.5 for human prostate, 2 mM NADPH, ...


J Enzyme Inhib Med Chem 25: 306-11 (2010)


Article DOI: 10.3109/14756360903179401
BindingDB Entry DOI: 10.7270/Q2G15ZQ6
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM233043
PNG
(6-Chloro-3,20-dioxopregna-4,6-diene-17α-yl ac...)
Show SMILES CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
Show InChI InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16?,17?,18?,21-,22+,23+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/a6.537



Universidad Nacional Autónoma de México



Assay Description
The reaction mixture contained a final volume of 1 mL: 1 mM dithiothreitol, sodium phosphate buffer 40 mM, at pH 6.5 for human prostate, 2 mM NADPH, ...


J Enzyme Inhib Med Chem 25: 306-11 (2010)


Article DOI: 10.3109/14756360903179401
BindingDB Entry DOI: 10.7270/Q2G15ZQ6
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM235659
PNG
(4-Bromo-3,20-dioxopregn-4-ene-17-yl-4-ethylbenzoat...)
Show SMILES CCc1ccc(cc1)C(=O)O[C@@]1(CCC2C3CCC4=C(Br)C(=O)CCC4(C)C3CCC12C)C(C)=O
Show InChI InChI=1S/C30H37BrO4/c1-5-19-6-8-20(9-7-19)27(34)35-30(18(2)32)17-13-23-21-10-11-24-26(31)25(33)14-15-28(24,3)22(21)12-16-29(23,30)4/h6-9,21-23H,5,10-17H2,1-4H3/t21?,22?,23?,28?,29?,30-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/a6.537



Metropolitan University-Xochimilco



Assay Description
The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...


J Enzyme Inhib Med Chem 26: 712-9 (2011)


Article DOI: 10.3109/14756366.2010.548330
BindingDB Entry DOI: 10.7270/Q25719XS
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM235654
PNG
(3,20-Dioxopregn-4-ene-17-yl acetate (4))
Show SMILES CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
Show InChI InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18?,19?,20?,21?,22?,23-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/a6.537



Metropolitan University-Xochimilco



Assay Description
The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...


J Enzyme Inhib Med Chem 26: 712-9 (2011)


Article DOI: 10.3109/14756366.2010.548330
BindingDB Entry DOI: 10.7270/Q25719XS
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM235655
PNG
(17α-Hydroxypregn-4-ene-3,20-dione (5))
Show SMILES CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16?,17?,18?,19?,20?,21-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/a6.537



Metropolitan University-Xochimilco



Assay Description
The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...


J Enzyme Inhib Med Chem 26: 712-9 (2011)


Article DOI: 10.3109/14756366.2010.548330
BindingDB Entry DOI: 10.7270/Q25719XS
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM235656
PNG
(4-Chloro-17α-hydroxypregn-4-ene-3,20-dione (7...)
Show SMILES CC(=O)[C@@]1(O)CCC2C3CCC4=C(Cl)C(=O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C21H29ClO3/c1-12(23)21(25)11-7-15-13-4-5-16-18(22)17(24)8-9-19(16,2)14(13)6-10-20(15,21)3/h13-15,25H,4-11H2,1-3H3/t13?,14?,15?,19?,20?,21-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/a6.537



Metropolitan University-Xochimilco



Assay Description
The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...


J Enzyme Inhib Med Chem 26: 712-9 (2011)


Article DOI: 10.3109/14756366.2010.548330
BindingDB Entry DOI: 10.7270/Q25719XS
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM235657
PNG
(4-Bromo-17α-hydroxypregn-4-ene-3,20-dione (7b...)
Show SMILES CC(=O)[C@@]1(O)CCC2C3CCC4=C(Br)C(=O)CCC4(C)C3CCC12C
Show InChI InChI=1S/C21H29BrO3/c1-12(23)21(25)11-7-15-13-4-5-16-18(22)17(24)8-9-19(16,2)14(13)6-10-20(15,21)3/h13-15,25H,4-11H2,1-3H3/t13?,14?,15?,19?,20?,21-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/a6.537



Metropolitan University-Xochimilco



Assay Description
The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...


J Enzyme Inhib Med Chem 26: 712-9 (2011)


Article DOI: 10.3109/14756366.2010.548330
BindingDB Entry DOI: 10.7270/Q25719XS
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM235658
PNG
(4-Chloro-3,20-dioxopregn-4-ene-17-yl-4-ethylbenzoa...)
Show SMILES CCc1ccc(cc1)C(=O)O[C@@]1(CCC2C3CCC4=C(Cl)C(=O)CCC4(C)C3CCC12C)C(C)=O
Show InChI InChI=1S/C30H37ClO4/c1-5-19-6-8-20(9-7-19)27(34)35-30(18(2)32)17-13-23-21-10-11-24-26(31)25(33)14-15-28(24,3)22(21)12-16-29(23,30)4/h6-9,21-23H,5,10-17H2,1-4H3/t21?,22?,23?,28?,29?,30-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/a6.537



Metropolitan University-Xochimilco



Assay Description
The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...


J Enzyme Inhib Med Chem 26: 712-9 (2011)


Article DOI: 10.3109/14756366.2010.548330
BindingDB Entry DOI: 10.7270/Q25719XS
More data for this
Ligand-Target Pair
5-alpha-Reductase (5α-Reductase)


(Homo sapiens (Human))
BDBM50025356
PNG
(4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10...)
Show SMILES CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C
Show InChI InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/a6.537



Metropolitan University-Xochimilco



Assay Description
The reaction mixtures contained a final volume of 1 mL, 1 mM DTT, sodium phosphate buffer 40 mM, at pH 6.5, 2 mM, NADPH, 2 nM [1,2,6,7-3H]T or [1,2,3...


J Enzyme Inhib Med Chem 26: 712-9 (2011)


Article DOI: 10.3109/14756366.2010.548330
BindingDB Entry DOI: 10.7270/Q25719XS
More data for this
Ligand-Target Pair