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BDBM50398108 CHEMBL2182056

SMILES: CC(OC(=O)Nc1c(cnn1C)-c1ccccc1)c1ccccc1Cl

InChI Key: InChIKey=SVHXRVCXCDHNAL-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50398108   
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 1


(Homo sapiens (Human))
BDBM50398108
PNG
(CHEMBL2182056)
Show SMILES CC(OC(=O)Nc1c(cnn1C)-c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C19H18ClN3O2/c1-13(15-10-6-7-11-17(15)20)25-19(24)22-18-16(12-21-23(18)2)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.59E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50398108
PNG
(CHEMBL2182056)
Show SMILES CC(OC(=O)Nc1c(cnn1C)-c1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C19H18ClN3O2/c1-13(15-10-6-7-11-17(15)20)25-19(24)22-18-16(12-21-23(18)2)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,24)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA3 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair