Reaction Details |
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Target | Tyrosine-protein kinase ABL1 |
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Ligand | BDBM50322539 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_641693 (CHEMBL1176860) |
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IC50 | 6.4±n/a nM |
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Citation | Huang, WS; Metcalf, CA; Sundaramoorthi, R; Wang, Y; Zou, D; Thomas, RM; Zhu, X; Cai, L; Wen, D; Liu, S; Romero, J; Qi, J; Chen, I; Banda, G; Lentini, SP; Das, S; Xu, Q; Keats, J; Wang, F; Wardwell, S; Ning, Y; Snodgrass, JT; Broudy, MI; Russian, K; Zhou, T; Commodore, L; Narasimhan, NI; Mohemmad, QK; Iuliucci, J; Rivera, VM; Dalgarno, DC; Sawyer, TK; Clackson, T; Shakespeare, WC Discovery of 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a potent, orally active pan-inhibitor of breakpoint cluster region-abelson (BCR-ABL) kinase including the T315I gatekeeper mutant. J Med Chem53:4701-19 (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: | 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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BDBM50322539 |
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n/a |
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Name | BDBM50322539 |
Synonyms: | 3-{2-[8-(Acetylamino)imidazo-[1,2-a]pyridin-3-yl]ethynyl}-N-[3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide | CHEMBL1172585 |
Type | Small organic molecule |
Emp. Form. | C29H21F3N6O2 |
Mol. Mass. | 542.5112 |
SMILES | CC(=O)Nc1cccn2c(cnc12)C#Cc1cc(ccc1C)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1ccnc1 |
Structure |
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