Reaction Details |
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Target | Tyrosine-protein kinase ABL1 |
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Ligand | BDBM213656 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1765492 (CHEMBL4200739) |
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IC50 | 0.500000±n/a nM |
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Citation | Schoepfer, J; Jahnke, W; Berellini, G; Buonamici, S; Cotesta, S; Cowan-Jacob, SW; Dodd, S; Drueckes, P; Fabbro, D; Gabriel, T; Groell, JM; Grotzfeld, RM; Hassan, AQ; Henry, C; Iyer, V; Jones, D; Lombardo, F; Loo, A; Manley, PW; Pellé, X; Rummel, G; Salem, B; Warmuth, M; Wylie, AA; Zoller, T; Marzinzik, AL; Furet, P Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J Med Chem61:8120-8135 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Tyrosine-protein kinase ABL1 |
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Name: | Tyrosine-protein kinase ABL1 |
Synonyms: | ABL | ABL1 | ABL1_HUMAN | Abelson murine leukemia viral oncogene homolog 1 | JTK7 | Proto-oncogene c-Abl | Proto-oncogene tyrosine-protein kinase ABL1 | Tyrosine-protein kinase (ABL) | Tyrosine-protein kinase ABL | Tyrosine-protein kinase ABL1 (ABL) | V-abl Abelson murine leukemia viral oncogene homolog 1 | c-ABL | p150 | tyrosine-protein kinase ABL1 isoform a |
Type: | Enzyme |
Mol. Mass.: | 122897.30 |
Organism: | Homo sapiens (Human) |
Description: | P00519 |
Residue: | 1130 |
Sequence: | MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSE
NDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVN
SLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTAS
DGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERT
DITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQ
LLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFI
HRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKS
DVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNP
SDRPSFAEIHQAFETMFQESSISDEVEKELGKQGVRGAVSTLLQAPELPTKTRTSRRAAE
HRDTTDVPEMPHSKGQGESDPLDHEPAVSPLLPRKERGPPEGGLNEDERLLPKDKKTNLF
SALIKKKKKTAPTPPKRSSSFREMDGQPERRGAGEEEGRDISNGALAFTPLDTADPAKSP
KPSNGAGVPNGALRESGGSGFRSPHLWKKSSTLTSSRLATGEEEGGGSSSKRFLRSCSAS
CVPHGAKDTEWRSVTLPRDLQSTGRQFDSSTFGGHKSEKPALPRKRAGENRSDQVTRGTV
TPPPRLVKKNEEAADEVFKDIMESSPGSSPPNLTPKPLRRQVTVAPASGLPHKEEAGKGS
ALGTPAAAEPVTPTSKAGSGAPGGTSKGPAEESRVRRHKHSSESPGRDKGKLSRLKPAPP
PPPAASAGKAGGKPSQSPSQEAAGEAVLGAKTKATSLVDAVNSDAAKPSQPGEGLKKPVL
PATPKPQSAKPSGTPISPAPVPSTLPSASSALAGDQPSSTAFIPLISTRVSLRKTRQPPE
RIASGAITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNK
FAFREAINKLENNLRELQICPATAGSGPAATQDFSKLLSSVKEISDIVQR
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BDBM213656 |
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n/a |
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Name | BDBM213656 |
Synonyms: | US9278981, 248 |
Type | Small organic molecule |
Emp. Form. | C21H18ClF2N5O4 |
Mol. Mass. | 477.849 |
SMILES | O[C@H]1CN(C[C@@H]1O)c1ncc(cc1-c1cncnc1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| |
Structure |
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