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Compile Data Set for Download or QSAR

Found 5 hits of ph data with Target = 'Steroid 5-alpha-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
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM92326
PNG
(Finasteride, 3)
Show SMILES CC(C)(C)NC(=O)[C@H]1CCC2C3CCC4NC(=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-/m1/s1
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Article
PubMed
n/an/a 8.5n/an/an/an/a6.537



National University of Mexico City



Assay Description
The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.


J Enzyme Inhib Med Chem 24: 655-62 (2009)


Article DOI: 10.1080/14756360802323720
BindingDB Entry DOI: 10.7270/Q2ZK5F9G
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM92327
PNG
(Steroid, 9a)
Show SMILES CC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)c1ccccc1
Show InChI InChI=1S/C28H34O4/c1-18(29)28(32-25(31)19-7-5-4-6-8-19)16-13-24-22-10-9-20-17-21(30)11-14-26(20,2)23(22)12-15-27(24,28)3/h4-8,17,22-24H,9-16H2,1-3H3/t22?,23?,24?,26-,27-,28-/m0/s1
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PC sid
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Article
PubMed
n/an/a 360n/an/an/an/a6.537



National University of Mexico City



Assay Description
The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.


J Enzyme Inhib Med Chem 24: 655-62 (2009)


Article DOI: 10.1080/14756360802323720
BindingDB Entry DOI: 10.7270/Q2ZK5F9G
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM92330
PNG
(Steroid, 10b)
Show SMILES CC(=O)[C@]1(CCC2C3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)C3CC[C@]12C)OC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C28H33BrO5/c1-16(30)27(34-24(32)17-4-6-18(29)7-5-17)15-10-21-19-8-14-28-23(33-28)22(31)11-13-26(28,3)20(19)9-12-25(21,27)2/h4-7,19-21,23H,8-15H2,1-3H3/t19?,20?,21?,23-,25+,26-,27+,28-/m1/s1
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Article
PubMed
n/an/a 4.90n/an/an/an/a6.537



National University of Mexico City



Assay Description
The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.


J Enzyme Inhib Med Chem 24: 655-62 (2009)


Article DOI: 10.1080/14756360802323720
BindingDB Entry DOI: 10.7270/Q2ZK5F9G
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM92329
PNG
(Steroid, 10a)
Show SMILES CC(=O)[C@]1(CCC2C3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)C3CC[C@]12C)OC(=O)c1ccccc1
Show InChI InChI=1S/C28H34O5/c1-17(29)27(33-24(31)18-7-5-4-6-8-18)16-11-21-19-9-15-28-23(32-28)22(30)12-14-26(28,3)20(19)10-13-25(21,27)2/h4-8,19-21,23H,9-16H2,1-3H3/t19?,20?,21?,23-,25+,26-,27+,28-/m1/s1
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PC sid
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Article
PubMed
n/an/a 13n/an/an/an/a6.537



National University of Mexico City



Assay Description
The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.


J Enzyme Inhib Med Chem 24: 655-62 (2009)


Article DOI: 10.1080/14756360802323720
BindingDB Entry DOI: 10.7270/Q2ZK5F9G
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM92328
PNG
(Steroid, 9b)
Show SMILES CC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C28H33BrO4/c1-17(30)28(33-25(32)18-4-7-20(29)8-5-18)15-12-24-22-9-6-19-16-21(31)10-13-26(19,2)23(22)11-14-27(24,28)3/h4-5,7-8,16,22-24H,6,9-15H2,1-3H3/t22?,23?,24?,26-,27-,28-/m0/s1
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 370n/an/an/an/a6.537



National University of Mexico City



Assay Description
The IC50 values for the synthesized steroids with human prostate 5alpha-reductase enzyme.


J Enzyme Inhib Med Chem 24: 655-62 (2009)


Article DOI: 10.1080/14756360802323720
BindingDB Entry DOI: 10.7270/Q2ZK5F9G
More data for this
Ligand-Target Pair