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BDBM50398116 CHEMBL2182037

SMILES: C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1

InChI Key: InChIKey=FJLBJDCQCPHBIU-HXUWFJFHSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398116   
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))
BDBM50398116
PNG
(CHEMBL2182037)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H29N5O5S/c1-19-26(30-28(36)39-20(2)21-7-5-4-6-8-21)34(33-31-19)25-15-11-23(12-16-25)22-9-13-24(14-10-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,20H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/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