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BDBM50271763 3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-acrylic acid::4,4'-(1,3-phenylenebis(azanediyl))bis(4-oxobut-2-enoic acid)::CHEMBL519002

SMILES: OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1

InChI Key: InChIKey=SKDIMRRKRVTENP-YDFGWWAZSA-N

Data: 2 KI  4 IC50

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 6 hits for monomerid = 50271763   
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)
BDBM50271763
PNG
(3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+
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20.8n/an/an/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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50271763
PNG
(3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+
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50n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...


Bioorg Med Chem 16: 6207-17 (2008)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50271763
PNG
(3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+
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n/an/a 22n/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)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50271763
PNG
(3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
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n/an/a 220n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response


Bioorg Med Chem 17: 7457-64 (2009)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50271763
PNG
(3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium conce...


Bioorg Med Chem 16: 6207-17 (2008)

More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50271763
PNG
(3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-ac...)
Show SMILES OC(=O)\C=C\C(=O)Nc1cccc(NC(=O)\C=C\C(O)=O)c1
Show InChI InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4+,7-5+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21.8n/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)

More data for this
Ligand-Target Pair