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BDBM50271701 2,6-bis(3-carboxyacrylamido)benzoic acid::4,4'-(2-carboxy-1,3-phenylene)bis(azanediyl)bis(4-oxobut-2-enoic acid)::CHEMBL485119

SMILES: OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1C(O)=O

InChI Key: InChIKey=AEFXZQBYWHGBOY-YDFGWWAZSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50271701   
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
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50271701
PNG
(2,6-bis(3-carboxyacrylamido)benzoic acid | 4,4'-(2...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1C(O)=O
Show InChI InChI=1S/C15H12N2O8/c18-10(4-6-12(20)21)16-8-2-1-3-9(14(8)15(24)25)17-11(19)5-7-13(22)23/h1-7H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b6-4+,7-5+
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 355n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...


Bioorg Med Chem 16: 6207-17 (2008)


Article DOI: 10.1016/j.bmc.2008.04.035
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50271701
PNG
(2,6-bis(3-carboxyacrylamido)benzoic acid | 4,4'-(2...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1C(O)=O
Show InChI InChI=1S/C15H12N2O8/c18-10(4-6-12(20)21)16-8-2-1-3-9(14(8)15(24)25)17-11(19)5-7-13(22)23/h1-7H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b6-4+,7-5+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 355n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50271701
PNG
(2,6-bis(3-carboxyacrylamido)benzoic acid | 4,4'-(2...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1C(O)=O
Show InChI InChI=1S/C15H12N2O8/c18-10(4-6-12(20)21)16-8-2-1-3-9(14(8)15(24)25)17-11(19)5-7-13(22)23/h1-7H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b6-4+,7-5+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50271701
PNG
(2,6-bis(3-carboxyacrylamido)benzoic acid | 4,4'-(2...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1C(O)=O
Show InChI InChI=1S/C15H12N2O8/c18-10(4-6-12(20)21)16-8-2-1-3-9(14(8)15(24)25)17-11(19)5-7-13(22)23/h1-7H,(H,16,18)(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b6-4+,7-5+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...


Bioorg Med Chem 16: 6207-17 (2008)


Article DOI: 10.1016/j.bmc.2008.04.035
More data for this
Ligand-Target Pair