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1 similar compounds to monomer 50219490

Compile data set for download or QSAR
Wt: 293.1
BDBM50240769
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50240769   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldo-keto reductase family 1 member C1


(Homo sapiens (Human))
BDBM50240769
PNG
(3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...)
Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 20-alpha HSD expressed in Escherichia coli JM109


J Med Chem 52: 3259-64 (2009)


Article DOI: 10.1021/jm9001633
BindingDB Entry DOI: 10.7270/Q2765F6T
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Aldo-keto reductase family 1 member C2


(Homo sapiens (Human))
BDBM50240769
PNG
(3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...)
Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
PDB
MMDB

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PubMed
1.97E+3n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type 3 3-alpha-HSD expressed in Escherichia coli JM109


J Med Chem 52: 3259-64 (2009)


Article DOI: 10.1021/jm9001633
BindingDB Entry DOI: 10.7270/Q2765F6T
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (Human))
BDBM50240769
PNG
(3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...)
Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109


J Med Chem 52: 3259-64 (2009)


Article DOI: 10.1021/jm9001633
BindingDB Entry DOI: 10.7270/Q2765F6T
More data for this
Ligand-Target Pair
Vascular endothelial growth factor A


(Homo sapiens (Human))
BDBM50240769
PNG
(3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...)
Show SMILES OC(=O)c1cc(Br)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
PDB
MMDB

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KEGG

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PubMed
n/an/an/a 5.00E+5n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation constant against VEGF (vascular endothelial growth factor) was determined.


J Med Chem 43: 3443-7 (2000)


Article DOI: 10.1021/jm000164q
BindingDB Entry DOI: 10.7270/Q2X068B2
More data for this
Ligand-Target Pair