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BDBM50361471 CHEMBL1614745

SMILES: O[C@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=HWXBTNAVRSUOJR-GSVOUGTGSA-N

Data: 4 IC50

PDB links: 7 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50361471   
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
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50361471
PNG
(CHEMBL1614745)
Show SMILES O[C@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
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KEGG
MMDB
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PDB
Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-ketoglutarate-dependent dioxygenase FTO


(Homo sapiens (Human))
BDBM50361471
PNG
(CHEMBL1614745)
Show SMILES O[C@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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KEGG
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...


J Med Chem 56: 3680-8 (2013)


Article DOI: 10.1021/jm400193d
BindingDB Entry DOI: 10.7270/Q21V5GBQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50361471
PNG
(CHEMBL1614745)
Show SMILES O[C@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
MMDB
PC cid
PC sid
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UniChem

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Article
PubMed
n/an/a 7.90E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4C


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50361471
PNG
(CHEMBL1614745)
Show SMILES O[C@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM2A


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair