Reaction Details |
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Target | Tyrosine-protein kinase ABL1 |
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Ligand | BDBM16673 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_647651 (CHEMBL1220002) |
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IC50 | 225.9±n/a nM |
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Citation | Dietrich, J; Hulme, C; Hurley, LH The design, synthesis, and evaluation of 8 hybrid DFG-out allosteric kinase inhibitors: a structural analysis of the binding interactions of Gleevec, Nexavar, and BIRB-796. Bioorg Med Chem18:5738-48 (2010) [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: | ABL1_MOUSE | Abelson murine leukemia viral oncogene homolog 1 | Abelson tyrosine-protein kinase 1 | Abl | Abl1 | Proto-oncogene c-Abl Abl1 | p150 |
Type: | PROTEIN |
Mol. Mass.: | 122698.35 |
Organism: | Mus musculus |
Description: | ChEMBL_767349 |
Residue: | 1123 |
Sequence: | MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSE
NDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVN
SLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTAS
DGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTIYGVSPNYDKWEMERT
DITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQ
LLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFI
HRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKS
DVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNP
SDRPSFAEIHQAFETMFQESSISDEVEKELGKRGTRGGAGSMLQAPELPTKTRTCRRAAE
QKDAPDTPELLHTKGLGESDALDSEPAVSPLLPRKERGPPDGSLNEDERLLPRDRKTNLF
SALIKKKKKMAPTPPKRSSSFREMDGQPDRRGASEDDSRELCNGPPALTSDAAEPTKSPK
ASNGAGVPNGAFREPGNSGFRSPHMWKKSSTLTGSRLAAAEEESGMSSSKRFLRSCSASC
MPHGARDTEWRSVTLPRDLPSAGKQFDSSTFGGHKSEKPALPRKRTSESRSEQVAKSTAM
PPPRLVKKNEEAAEEGFKDTESSPGSSPPSLTPKLLRRQVTASPSSGLSHKEEATKGSAS
GMGTPATAEPAPPSNKVGLSKASSEEMRVRRHKHSSESPGRDKGRLAKLKPAPPPPPACT
GKAGKPAQSPSQEAGEAGGPTKTKCTSLAMDAVNTDPTKAGPPGEGLRKPVPPSVPKPQS
TAKPPGTPTSPVSTPSTAPAPSPLAGDQQPSSAAFIPLISTRVSLRKTRQPPERIASGTI
TKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNKFAFREAI
NKLESNLRELQICPATASSGPAATQDFSKLLSSVKEISDIVRR
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BDBM16673 |
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n/a |
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Name | BDBM16673 |
Synonyms: | 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide | 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-picolinamide;tosylic acid | BAY 43-9006 | BAY 439006 | BAY439006 | CHEMBL1336 | Hit compound, 8 | Nexavar | Sorafenib | Sorafenib, 4 | US10183928, Sorafenib | US10202365, Compound Sorafenib | US10227329, Compound Sorafenib | US10584114, Compound Sorafenib | US10774070, Compound Sorafenib | US10980809, Example Sorafenib | US11279688, Compound Sorafenib | US11505527, Compound Sorafenib | US9029401, Sorafenib | US9469639, Sorafenib | US9902709, Comparative example 1 | Xarelto | cid_216239 |
Type | Small organic molecule |
Emp. Form. | C21H16ClF3N4O3 |
Mol. Mass. | 464.825 |
SMILES | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 |
Structure |
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