Reaction Details Report a problem with these data
Target
Lysophosphatidic acid receptor 1
Ligand
BDBM50170859
Substrate
n/a
Meas. Tech.
ChEMBL_873916 (CHEMBL2184752)
IC50
160±n/a nM
Citation
 Qian, Y; Hamilton, M; Sidduri, A; Gabriel, S; Ren, Y; Peng, R; Kondru, R; Narayanan, A; Truitt, T; Hamid, R; Chen, Y; Zhang, L; Fretland, AJ; Sanchez, RA; Chang, KC; Lucas, M; Schoenfeld, RC; Laine, D; Fuentes, ME; Stevenson, CS; Budd, DC Discovery of highly selective and orally active lysophosphatidic acid receptor-1 antagonists with potent activity on human lung fibroblasts. J Med Chem 55:7920-39 (2012) [PubMed]  Article 
Target
Name:
Lysophosphatidic acid receptor 1
Synonyms:
EDG2 | LPA receptor 1 | LPA-1 | LPA1 | LPAR1 | LPAR1_HUMAN | Lysophosphatidic acid receptor 1 (LPA1) | Lysophosphatidic acid receptor Edg-2
Type:
Enzyme
Mol. Mass.:
41120.55
Organism:
Homo sapiens (Human)
Description:
Q92633
Residue:
364
Sequence:
MAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVCIFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVSTWLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGAIPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMSRHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLAEFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSNDHSVV
  
Inhibitor
Name:
BDBM50170859
Synonyms:
3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-methylisoxazol-5-yl)benzylthio)propanoic acid | 3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonylamino)-3-methylisoxazol-5-yl)benzylthio)propanoic acid | 3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-benzylsulfanyl)-propionic acid | CHEMBL361501
Type:
Small organic molecule
Emp. Form.:
C23H23ClN2O5S
Mol. Mass.:
474.957
SMILES:
CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Structure:
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