BindingDB logo
myBDB logout

BDBM14673 Fragment 3::Malonic Acid::propanedioic acid

SMILES: OC(=O)CC(O)=O

InChI Key: InChIKey=OFOBLEOULBTSOW-UHFFFAOYSA-N

Data: 8 KI  8 IC50

PDB links: 115 PDB IDs match this monomer. 21 PDB IDs contain this monomer as substructures. 21 PDB IDs contain inhibitors having a similarity of 90% to 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 16 hits for monomerid = 14673   
Target
(Institution)
LigandTarget
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
Serine racemase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase by Lineweaver-Burk plot


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
3.30E+4n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
5.90E+4n/an/an/an/an/an/an/an/a



Department of Food Science, University of Parma, Parma, Italy.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant serine racemase expressed in Escherichia coli Rosetta 2 (DE3) cells using L-serine as substrate by horseradish peroxi...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
6.60E+4n/an/an/an/an/an/an/an/a



Department of Food Science, University of Parma, Parma, Italy.

Curated by ChEMBL


Assay Description
Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as red...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
7.10E+4n/an/an/an/an/an/an/an/a



Institute of Organic Chemistry and Biochemistry of the ASCR

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant serine racemase transfected in bacterial expression system


Citation and Details
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
1.53E+5n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DDO


Citation and Details
More data for this
Ligand-Target Pair
D-aspartate oxidase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
1.22E+6n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant DDO using D-Asp


Citation and Details
More data for this
Ligand-Target Pair
D-aspartate oxidase


(Rattus norvegicus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
1.56E+6n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant DDO using D-Asp


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Mus musculus)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 6.70E+4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis


Citation and Details
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.31E+6n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production af...


Citation and Details
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Homo sapiens (human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...


Citation and Details
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 8.79E+5n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...


Citation and Details
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens)
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 2.49E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mi...


Citation and Details
More data for this
Ligand-Target Pair
Src


(Homo sapiens (human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/a>4.00E+7n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-Aspartate Oxidase (DDO)


(Homo sapiens (human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.36E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged DDO expressed in Escherichia coli BL21(DE3) using D-aspartate as substrate by colorimetric assa...


Citation and Details
More data for this
Ligand-Target Pair