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BDBM50388091 CHEMBL2058156

SMILES: COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O

InChI Key: InChIKey=BNALUYKEGYUHQC-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50388091   
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 5 (LPA5)


(Homo sapiens (Human))
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins


Bioorg Med Chem Lett 22: 5239-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.057
BindingDB Entry DOI: 10.7270/Q2J1047Q
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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KEGG

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PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA2 receptor in human isolated platelets assessed as inhibition of TRAP-induced platelet aggregation after 3 mins


Bioorg Med Chem Lett 22: 5239-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.057
BindingDB Entry DOI: 10.7270/Q2J1047Q
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at LPA5 receptor in human washed platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins


Bioorg Med Chem Lett 22: 5239-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.057
BindingDB Entry DOI: 10.7270/Q2J1047Q
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50388091
PNG
(CHEMBL2058156)
Show SMILES COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O3/c1-29-18-9-5-8-17(13-18)26-22(14-21(25-26)23(27)28)16-10-11-19(20(24)12-16)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,27,28)
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antibodypedia
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Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA5 receptor expressed in rat RH7777 cells assessed as inhibition of hexadecyl-LPA-induced effect


Bioorg Med Chem Lett 22: 5239-43 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.057
BindingDB Entry DOI: 10.7270/Q2J1047Q
More data for this
Ligand-Target Pair