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BDBM50271764 3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarbamoyl]-acrylic acid::CHEMBL482497

SMILES: OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1

InChI Key: InChIKey=FTLRWRKPUWMOMS-WGDLNXRISA-N

Data: 2 KI  2 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 4 hits for monomerid = 50271764   
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))
BDBM50271764
PNG
(3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarba...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
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Article
PubMed
21.1n/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)


Article DOI: 10.1016/j.bmc.2008.04.035
BindingDB Entry DOI: 10.7270/Q270817C
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50271764
PNG
(3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarba...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
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CHEMBL
MCE
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Article
PubMed
7.02E+3n/an/an/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
BindingDB Entry DOI: 10.7270/Q270817C
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50271764
PNG
(3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarba...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
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Article
PubMed
n/an/a 1.39E+4n/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
BindingDB Entry DOI: 10.7270/Q270817C
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50271764
PNG
(3-[4'-(3-Carboxy-acryloylamino)-biphenyl-4-ylcarba...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)\C=C\C(O)=O)cc1
Show InChI InChI=1S/C20H16N2O6/c23-17(9-11-19(25)26)21-15-5-1-13(2-6-15)14-3-7-16(8-4-14)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
NCI pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 28.3n/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
BindingDB Entry DOI: 10.7270/Q270817C
More data for this
Ligand-Target Pair