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

Found 13 hits Enz. Inhib. hit(s) with Target = '20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)'
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
pHTemp
°C
20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens
CHEBI:480305
JPEG
(5-bromo-4-hydroxybiphenyl-3-carboxylic acid)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
PC cid
PC sid
PubMed
4.000n/an/an/an/an/an/a

Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


J Med Chem. 52: 3259-64 (2009)

20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens (human)
3,5-dichlorosalicylic acid
JPEG
(3,5-dichloro-2-hydroxybenzoic acid)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
MMDB
PC cid
PC sid
PDB
MMDB
PDB
PubMed
5.900-46.96n/an/an/a7.425


Monash University



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

3D
20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens
CHEBI:560835
JPEG
(3,5-Dibromosalicylic acid)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
PC cid
PC sid
PubMed
9.000n/an/an/an/an/an/a

Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


J Med Chem. 52: 3259-64 (2009)

20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) Mutant (H222S)


Homo sapiens (human)
3,5-dichlorosalicylic acid
JPEG
(3,5-dichloro-2-hydroxybenzoic acid)
B.MOAD
GoogleScholar
MMDB
PDB
CHEBI
CSLS
MMDB
PC cid
PC sid
PDB
MMDB
PDB
PubMed
58.00-41.30n/an/an/a7.425


Monash University



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

3D
20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) Mutant (L54V)


Homo sapiens (human)
3,5-dichlorosalicylic acid
JPEG
(3,5-dichloro-2-hydroxybenzoic acid)
B.MOAD
GoogleScholar
MMDB
PDB
CHEBI
CSLS
MMDB
PC cid
PC sid
PDB
MMDB
PDB
PubMed
85.00-40.35n/an/an/a7.425


Monash University



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

3D
20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens
CHEBI:290620
JPEG
(5-Bromo-2-hydroxy-biphenyl-3-carboxylic acid)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
PC cid
PC sid
PubMed
140.0n/an/an/an/an/an/a

Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


J Med Chem. 52: 3259-64 (2009)

20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) Mutant (L306A)


Homo sapiens (human)
3,5-dichlorosalicylic acid
JPEG
(3,5-dichloro-2-hydroxybenzoic acid)
B.MOAD
GoogleScholar
MMDB
PDB
CHEBI
CSLS
MMDB
PC cid
PC sid
PDB
MMDB
PDB
PubMed
270.0-37.49n/an/an/a7.425


Monash University



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

3D
20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) Mutant (L308A)


Homo sapiens (human)
3,5-dichlorosalicylic acid
JPEG
(3,5-dichloro-2-hydroxybenzoic acid)
B.MOAD
GoogleScholar
MMDB
PDB
CHEBI
CSLS
MMDB
PC cid
PC sid
PDB
MMDB
PDB
PubMed
2800-31.69n/an/an/a7.425


Monash University



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

3D
20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens
3,5-dichlorosalicylic acid
JPEG
(3,5-dichloro-2-hydroxybenzoic acid)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
MMDB
PC cid
PC sid
PDB
MMDB
PDB
PubMed
n/an/a6.0n/an/an/an/a

Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


J Med Chem. 52: 3259-64 (2009)

3D
20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens
CHEBI:560836
JPEG
(3',3'',5',5''-tetrabromophenolphthalein)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
PC cid
PC sid
PubMed
n/an/a33.0n/an/an/an/a

Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


J Med Chem. 52: 3259-64 (2009)

20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens
CHEBI:474182
JPEG
((3,5-dibromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-...)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
PubMed
n/an/a48.0n/an/an/an/a

Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


J Med Chem. 52: 3259-64 (2009)

20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens
CHEBI:480305
JPEG
(5-bromo-4-hydroxybiphenyl-3-carboxylic acid)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
PC cid
PC sid
PubMed
n/an/a460.0n/an/an/an/a

Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


J Med Chem. 52: 3259-64 (2009)

20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1)


Homo sapiens
CHEBI:560835
JPEG
(3,5-Dibromosalicylic acid)
B.MOAD
DrugBank
GoogleScholar
KEGG
MMDB
PDB
UniProtKB/SwissProt
CHEBI
CSLS
PC cid
PC sid
PubMed
n/an/a2300.0n/an/an/an/a

Monash Institute of Pharmaceutical Sciences

Curated by ChEMBL


J Med Chem. 52: 3259-64 (2009)

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