Reaction Details |
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Target | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 |
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Ligand | BDBM369940 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1979963 (CHEMBL4613098) |
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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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Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 |
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Name: | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 |
Synonyms: | ENPP1 | ENPP1_HUMAN | M6S1 | NPPS | PC1 | PDNP1 |
Type: | PROTEIN |
Mol. Mass.: | 104934.43 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1448940 |
Residue: | 925 |
Sequence: | MERDGCAGGGSRGGEGGRAPREGPAGNGRDRGRSHAAEAPGDPQAAASLLAPMDVGEEPL
EKAARARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFGNC
RCDAACVELGNCCLDYQETCIEPEHIWTCNKFRCGEKRLTRSLCACSDDCKDKGDCCINY
SSVCQGEKSWVEEPCESINEPQCPAGFETPPTLLFSLDGFRAEYLHTWGGLLPVISKLKK
CGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPEW
YKGEPIWVTAKYQGLKSGTFFWPGSDVEINGIFPDIYKMYNGSVPFEERILAVLQWLQLP
KDERPHFYTLYLEEPDSSGHSYGPVSSEVIKALQRVDGMVGMLMDGLKELNLHRCLNLIL
ISDHGMEQGSCKKYIYLNKYLGDVKNIKVIYGPAARLRPSDVPDKYYSFNYEGIARNLSC
REPNQHFKPYLKHFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNV
FSNMQALFVGYGPGFKHGIEADTFENIEVYNLMCDLLNLTPAPNNGTHGSLNHLLKNPVY
TPKHPKEVHPLVQCPFTRNPRDNLGCSCNPSILPIEDFQTQFNLTVAEEKIIKHETLPYG
RPRVLQKENTICLLSQHQFMSGYSQDILMPLWTSYTVDRNDSFSTEDFSNCLYQDFRIPL
SPVHKCSFYKNNTKVSYGFLSPPQLNKNSSGIYSEALLTTNIVPMYQSFQVIWRYFHDTL
LRKYAEERNGVNVVSGPVFDFDYDGRCDSLENLRQKRRVIRNQEILIPTHFFIVLTSCKD
TSQTPLHCENLDTLAFILPHRTDNSESCVHGKHDSSWVEELLMLHRARITDVEHITGLSF
YQQRKEPVSDILKLKTHLPTFSQED
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BDBM369940 |
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n/a |
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Name | BDBM369940 |
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 |
Type | Small organic molecule |
Emp. Form. | C28H28F4N6O4 |
Mol. Mass. | 588.5533 |
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| |
Structure |
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