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BDBM41957 3-(3,4-dihydroxyphenyl)propanoic acid::3-(3,4-dihydroxyphenyl)propionic acid::3-[3,4-bis(oxidanyl)phenyl]propanoic acid::cid_348154

SMILES: OC(=O)CCc1ccc(O)c(O)c1

InChI Key: InChIKey=DZAUWHJDUNRCTF-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 41957   
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
Procollagen-proline,2-oxoglutarate-4-dioxygenase


(Gallus gallus (Chicken))
BDBM41957
PNG
(3-(3,4-dihydroxyphenyl)propanoic acid | 3-(3,4-dih...)
Show SMILES OC(=O)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
PDB

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PC sid
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PubMed
1.30E+4n/an/an/an/an/an/an/an/a



University of Oulu



Assay Description
Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.


Citation and Details
More data for this
Ligand-Target Pair
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM41957
PNG
(3-(3,4-dihydroxyphenyl)propanoic acid | 3-(3,4-dih...)
Show SMILES OC(=O)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate a...


Eur J Med Chem 90: 351-9 (2015)

More data for this
Ligand-Target Pair
mothers against decapentaplegic homolog 3


(Homo sapiens)
BDBM41957
PNG
(3-(3,4-dihydroxyphenyl)propanoic acid | 3-(3,4-dih...)
Show SMILES OC(=O)CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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KEGG
PC cid
PC sid
UniChem

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Article
PCBioAssay
n/an/a>5.00E+4n/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: F.M. Hoffmann, University ...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair