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5 similar compounds to monomer 50177402

Compile data set for download or QSAR
Wt: 166.1
BDBM50570
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Wt: 136.1
BDBM50177409
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Wt: 178.2
BDBM50189959
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Wt: 164.2
BDBM50189960
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Wt: 184.6
BDBM50255245
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50570,50177409,50189959,50189960,50255245   
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
Gamma-amino-N-butyrate transaminase


(Rattus norvegicus)
BDBM50255245
PNG
(3-chloro-1-(4-hydroxyphenyl)propan-1-one | CHEMBL5...)
Show SMILES Oc1ccc(cc1)C(=O)CCCl
Show InChI InChI=1S/C9H9ClO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2
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2.43E+4n/an/an/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Activity of GABA transaminase in rat brain


Bioorg Med Chem Lett 19: 731-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.033
BindingDB Entry DOI: 10.7270/Q2T72H9G
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM50570
PNG
(1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one | 3-hy...)
Show SMILES OCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
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n/an/an/an/a 1.13E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM50570
PNG
(1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one | 3-hy...)
Show SMILES OCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
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n/an/an/an/a 1.89E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM50570
PNG
(1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one | 3-hy...)
Show SMILES OCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM50570
PNG
(1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one | 3-hy...)
Show SMILES OCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50570
PNG
(1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one | 3-hy...)
Show SMILES OCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
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n/an/a 1.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.011
BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair
Succinate semialdehyde dehydrogenase


(Homo sapiens (Human))
BDBM50177409
PNG
((4-hydroxyphenyl)ethan-1-one | 1-(4-hydroxyphenyl)...)
Show SMILES CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
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n/an/a 1.66E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against SSADH


Bioorg Med Chem Lett 16: 592-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189959
PNG
(1-(4-hydroxyphenyl)pentan-1-one | CHEMBL441370)
Show SMILES CCCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
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n/an/a 6.05E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50189960
PNG
(1-(4-hydroxyphenyl)butan-1-one | CHEMBL214150)
Show SMILES CCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3
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n/an/a 8.95E+4n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50177409
PNG
((4-hydroxyphenyl)ethan-1-one | 1-(4-hydroxyphenyl)...)
Show SMILES CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
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n/an/a 1.71E+6n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD3


Bioorg Med Chem Lett 16: 4519-22 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.029
BindingDB Entry DOI: 10.7270/Q2D21X7Q
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Rattus norvegicus)
BDBM50255245
PNG
(3-chloro-1-(4-hydroxyphenyl)propan-1-one | CHEMBL5...)
Show SMILES Oc1ccc(cc1)C(=O)CCCl
Show InChI InChI=1S/C9H9ClO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2
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n/an/a 3.99E+3n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GABA transaminase in rat brain by Kitz-Wilson plot


Bioorg Med Chem Lett 19: 731-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.033
BindingDB Entry DOI: 10.7270/Q2T72H9G
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50570
PNG
(1-(4-hydroxyphenyl)-3-oxidanyl-propan-1-one | 3-hy...)
Show SMILES OCCC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O3/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
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n/an/a 5.16E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens (Human))
BDBM50177409
PNG
((4-hydroxyphenyl)ethan-1-one | 1-(4-hydroxyphenyl)...)
Show SMILES CC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
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n/an/a 1.88E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


Bioorg Med Chem Lett 16: 592-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair