| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosine-protein kinase JAK3 |
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| Ligand | BDBM50193995 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_962891 (CHEMBL2389439) |
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| Ki | 0.400000±n/a nM |
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| Citation |  Liang, J; van Abbema, A; Balazs, M; Barrett, K; Berezhkovsky, L; Blair, W; Chang, C; Delarosa, D; DeVoss, J; Driscoll, J; Eigenbrot, C; Ghilardi, N; Gibbons, P; Halladay, J; Johnson, A; Kohli, PB; Lai, Y; Liu, Y; Lyssikatos, J; Mantik, P; Menghrajani, K; Murray, J; Peng, I; Sambrone, A; Shia, S; Shin, Y; Smith, J; Sohn, S; Tsui, V; Ultsch, M; Wu, LC; Xiao, Y; Yang, W; Young, J; Zhang, B; Zhu, BY; Magnuson, S Lead optimization of a 4-aminopyridine benzamide scaffold to identify potent, selective, and orally bioavailable TYK2 inhibitors. J Med Chem56:4521-36 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Tyrosine-protein kinase JAK3 |
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| Name: | Tyrosine-protein kinase JAK3 |
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| Synonyms: | JAK-3 | JAK3 | JAK3_HUMAN | Janus kinase 3 | Janus kinase 3 (JAK3) | Janus kinase 3 JAK3 | L-JAK | Leukocyte janus kinase |
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| Type: | Protein |
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| Mol. Mass.: | 125111.08 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P52333 |
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| Residue: | 1124 |
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| Sequence: | MAPPSEETPLIPQRSCSLLSTEAGALHVLLPARGPGPPQRLSFSFGDHLAEDLCVQAAKA
SGILPVYHSLFALATEDLSCWFPPSHIFSVEDASTQVLLYRIRFYFPNWFGLEKCHRFGL
RKDLASAILDLPVLEHLFAQHRSDLVSGRLPVGLSLKEQGECLSLAVLDLARMAREQAQR
PGELLKTVSYKACLPPSLRDLIQGLSFVTRRRIRRTVRRALRRVAACQADRHSLMAKYIM
DLERLDPAGAAETFHVGLPGALGGHDGLGLLRVAGDGGIAWTQGEQEVLQPFCDFPEIVD
ISIKQAPRVGPAGEHRLVTVTRTDNQILEAEFPGLPEALSFVALVDGYFRLTTDSQHFFC
KEVAPPRLLEEVAEQCHGPITLDFAINKLKTGGSRPGSYVLRRSPQDFDSFLLTVCVQNP
LGPDYKGCLIRRSPTGTFLLVGLSRPHSSLRELLATCWDGGLHVDGVAVTLTSCCIPRPK
EKSNLIVVQRGHSPPTSSLVQPQSQYQLSQMTFHKIPADSLEWHENLGHGSFTKIYRGCR
HEVVDGEARKTEVLLKVMDAKHKNCMESFLEAASLMSQVSYRHLVLLHGVCMAGDSTMVQ
EFVHLGAIDMYLRKRGHLVPASWKLQVVKQLAYALNYLEDKGLPHGNVSARKVLLAREGA
DGSPPFIKLSDPGVSPAVLSLEMLTDRIPWVAPECLREAQTLSLEADKWGFGATVWEVFS
GVTMPISALDPAKKLQFYEDRQQLPAPKWTELALLIQQCMAYEPVQRPSFRAVIRDLNSL
ISSDYELLSDPTPGALAPRDGLWNGAQLYACQDPTIFEERHLKYISQLGKGNFGSVELCR
YDPLGDNTGALVAVKQLQHSGPDQQRDFQREIQILKALHSDFIVKYRGVSYGPGRQSLRL
VMEYLPSGCLRDFLQRHRARLDASRLLLYSSQICKGMEYLGSRRCVHRDLAARNILVESE
AHVKIADFGLAKLLPLDKDYYVVREPGQSPIFWYAPESLSDNIFSRQSDVWSFGVVLYEL
FTYCDKSCSPSAEFLRMMGCERDVPALCRLLELLEEGQRLPAPPACPAEVHELMKLCWAP
SPQDRPSFSALGPQLDMLWSGSRGCETHAFTAHPEGKHHSLSFS
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| BDBM50193995 |
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| n/a |
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| Name | BDBM50193995 |
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| Synonyms: | 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile | 3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile | 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile | CHEMBL221959 | CP-690550 | TOFACITINIB CITRATE | Tofacitinib | Tofacitinib citrate (1) | US10112907, Example 00035 | US10399979, Compound Tofacitinib | US10766894, Compound TABLE 1.20 | US10875847, Compound Tofacitinib | US11078206, Example Tofacitinib | US11203595, TABLE 1.20 | US11339167, Example Tofacitinib |
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| Type | Small organic molecule |
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| Emp. Form. | C16H20N6O |
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| Mol. Mass. | 312.3696 |
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| SMILES | C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| |
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| Structure | 
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