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Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Found 9 hits affinity hit(s) for enzyme = 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) with UniProtKB: P42330
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pHTemp
°C
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
EM-1404
JPEG
((2R,15'S)-5,5,15'-trimethyl-6-oxospiro[oxane-2,14'...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PDB
PubChem
PDB
PubMed
6.900-48.45n/an/an/a7.537


CHUL



J Biol Chem. 282: 8368-79 (2007)

3D
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
Flufenamic acid
JPEG
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
KEGG
PDB
PubChem
B.MOAD
DrugBank
PDB
PubMed
140.0-39.77n/an/an/a730


The University of Birmingham



Cancer Res. 64: 1802-10 (2004)

3D
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
Indomethacin
JPEG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
DrugBank
KEGG
PDB
PubChem
PDB
PubMed
270.0-38.12n/an/an/a730


The University of Birmingham



Cancer Res. 64: 1802-10 (2004)

3D
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
Indomethacin
JPEG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
DrugBank
KEGG
PDB
PubChem
PDB
PubMed
2100-32.95n/an/an/a730


The University of Birmingham



Cancer Res. 64: 1802-10 (2004)

3D
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
Flufenamic acid
JPEG
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
CSLS
DrugBank
KEGG
PDB
PubChem
B.MOAD
DrugBank
PDB
PubMed
3100-31.96n/an/an/a730


The University of Birmingham



Cancer Res. 64: 1802-10 (2004)

3D
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
3,5-dichlorosalicylic acid
JPEG
(3,5-dichloro-2-hydroxybenzoic acid)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PDB
PubChem
PDB
PubMed
94000-22.98n/an/an/a7.425


Monash University



J Med Chem. 51: 4844-8 (2008)

3D
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
EM-1404
JPEG
((2R,15'S)-5,5,15'-trimethyl-6-oxospiro[oxane-2,14'...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PDB
PubChem
PDB
PubMed
n/an/a3.2n/an/a622


CHUL



J Biol Chem. 282: 8368-79 (2007)

3D
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
EM-1424
JPEG
((2R,15'S)-5'-(2-methoxyethoxy)-5,5,15'-trimethyl-6...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
PubChemPubMed
n/an/a9.5n/an/a622


CHUL



J Biol Chem. 282: 8368-79 (2007)

17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


Homo sapiens (human)
EM-1396
JPEG
((2R,15'S)-5'-(2-methoxyethoxy)-5,5,15'-trimethyl-6...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
CSLS
PubChem
PubMed
n/an/a13.0n/an/a622


CHUL



J Biol Chem. 282: 8368-79 (2007)

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