Reaction Details |
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Target | Kinesin heavy chain isoform 5A |
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Ligand | BDBM50252149 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_487868 (CHEMBL1020054) |
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IC50 | >50000±n/a nM |
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Citation | Cox, CD; Coleman, PJ; Breslin, MJ; Whitman, DB; Garbaccio, RM; Fraley, ME; Buser, CA; Walsh, ES; Hamilton, K; Schaber, MD; Lobell, RB; Tao, W; Davide, JP; Diehl, RE; Abrams, MT; South, VJ; Huber, HE; Torrent, M; Prueksaritanont, T; Li, C; Slaughter, DE; Mahan, E; Fernandez-Metzler, C; Yan, Y; Kuo, LC; Kohl, NE; Hartman, GD Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer. J Med Chem51:4239-52 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Kinesin heavy chain isoform 5A |
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Name: | Kinesin heavy chain isoform 5A |
Synonyms: | KIF5A | KIF5A_HUMAN | NKHC1 |
Type: | PROTEIN |
Mol. Mass.: | 117363.74 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_818702 |
Residue: | 1032 |
Sequence: | MAETNNECSIKVLCRFRPLNQAEILRGDKFIPIFQGDDSVVIGGKPYVFDRVFPPNTTQE
QVYHACAMQIVKDVLAGYNGTIFAYGQTSSGKTHTMEGKLHDPQLMGIIPRIARDIFNHI
YSMDENLEFHIKVSYFEIYLDKIRDLLDVTKTNLSVHEDKNRVPFVKGCTERFVSSPEEI
LDVIDEGKSNRHVAVTNMNEHSSRSHSIFLINIKQENMETEQKLSGKLYLVDLAGSEKVS
KTGAEGAVLDEAKNINKSLSALGNVISALAEGTKSYVPYRDSKMTRILQDSLGGNCRTTM
FICCSPSSYNDAETKSTLMFGQRAKTIKNTASVNLELTAEQWKKKYEKEKEKTKAQKETI
AKLEAELSRWRNGENVPETERLAGEEAALGAELCEETPVNDNSSIVVRIAPEERQKYEEE
IRRLYKQLDDKDDEINQQSQLIEKLKQQMLDQEELLVSTRGDNEKVQRELSHLQSENDAA
KDEVKEVLQALEELAVNYDQKSQEVEEKSQQNQLLVDELSQKVATMLSLESELQRLQEVS
GHQRKRIAEVLNGLMKDLSEFSVIVGNGEIKLPVEISGAIEEEFTVARLYISKIKSEVKS
VVKRCRQLENLQVECHRKMEVTGRELSSCQLLISQHEAKIRSLTEYMQSVELKKRHLEES
YDSLSDELAKLQAQETVHEVALKDKEPDTQDADEVKKALELQMESHREAHHRQLARLRDE
INEKQKTIDELKDLNQKLQLELEKLQADYEKLKSEEHEKSTKLQELTFLYERHEQSKQDL
KGLEETVARELQTLHNLRKLFVQDVTTRVKKSAEMEPEDSGGIHSQKQKISFLENNLEQL
TKVHKQLVRDNADLRCELPKLEKRLRATAERVKALEGALKEAKEGAMKDKRRYQQEVDRI
KEAVRYKSSGKRGHSAQIAKPVRPGHYPASSPTNPYGTRSPECISYTNSLFQNYQNLYLQ
ATPSSTSDMYFANSCTSSGATSSGGPLASYQKANMDNGNATDINDNRSDLPCGYEAEDQA
KLFPLHQETAAS
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BDBM50252149 |
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n/a |
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Name | BDBM50252149 |
Synonyms: | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide | (S)-4-(2,5-difluorophenyl)-N-((3R,4S)-3-fluoro-1-methylpiperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide | CHEMBL481931 | MK-0731 |
Type | Small organic molecule |
Emp. Form. | C25H28F3N3O2 |
Mol. Mass. | 459.5039 |
SMILES | CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| |
Structure |
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