| Reaction Details |
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 | Report a problem with these data |
| Target | Lysophosphatidic acid receptor 1 |
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| Ligand | BDBM369940 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1979964 (CHEMBL4613099) |
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| IC50 | >10000±n/a nM |
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| Citation |  Cuozzo, JW; Clark, MA; Keefe, AD; Kohlmann, A; Mulvihill, M; Ni, H; Renzetti, LM; Resnicow, DI; Ruebsam, F; Sigel, EA; Thomson, HA; Wang, C; Xie, Z; Zhang, Y Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry. J Med Chem63:7840-7856 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Lysophosphatidic acid receptor 1 |
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| Name: | Lysophosphatidic acid receptor 1 |
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| Synonyms: | EDG2 | LPA receptor 1 | LPA-1 | LPA1 | LPAR1 | LPAR1_HUMAN | Lysophosphatidic acid receptor 1 (LPA1) | Lysophosphatidic acid receptor Edg-2 |
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| Type: | Enzyme |
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| Mol. Mass.: | 41120.55 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q92633 |
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| Residue: | 364 |
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| Sequence: | MAAISTSIPVISQPQFTAMNEPQCFYNESIAFFYNRSGKHLATEWNTVSKLVMGLGITVC
IFIMLANLLVMVAIYVNRRFHFPIYYLMANLAAADFFAGLAYFYLMFNTGPNTRRLTVST
WLLRQGLIDTSLTASVANLLAIAIERHITVFRMQLHTRMSNRRVVVVIVVIWTMAIVMGA
IPSVGWNCICDIENCSNMAPLYSDSYLVFWAIFNLVTFVVMVVLYAHIFGYVRQRTMRMS
RHSSGPRRNRDTMMSLLKTVVIVLGAFIICWTPGLVLLLLDVCCPQCDVLAYEKFFLLLA
EFNSAMNPIIYSYRDKEMSATFRQILCCQRSENPTGPTEGSDRSASSLNHTILAGVHSND
HSVV
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| BDBM369940 |
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| n/a |
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| Name | BDBM369940 |
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| Synonyms: | (R)—N-(1-(1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-3-methyl-1-oxobutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide | US10233182, Example 52 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H28F4N6O4 |
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| Mol. Mass. | 588.5533 |
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| SMILES | CC(C)[C@@H](NC(=O)c1cc(ccc1F)C(F)(F)F)C(=O)N1CCC2(CC1)N(C(=O)N(C)C2=O)c1ccc2[nH]ncc2c1 |r| |
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| Structure | 
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