| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Tyrosine-protein kinase ABL1 |
|---|
| Ligand | BDBM50345582 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_751378 (CHEMBL1785339) |
|---|
| IC50 | 4.3±n/a nM |
|---|
| Citation |  Thomas, M; Huang, WS; Wen, D; Zhu, X; Wang, Y; Metcalf, CA; Liu, S; Chen, I; Romero, J; Zou, D; Sundaramoorthi, R; Li, F; Qi, J; Cai, L; Zhou, T; Commodore, L; Xu, Q; Keats, J; Wang, F; Wardwell, S; Ning, Y; Snodgrass, JT; Broudy, MI; Russian, K; Iuliucci, J; Rivera, VM; Sawyer, TK; Dalgarno, DC; Clackson, T; Shakespeare, WC Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant. Bioorg Med Chem Lett21:3743-8 (2011) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Tyrosine-protein kinase ABL1 |
|---|
| 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
|
|
|
|---|
| BDBM50345582 |
|---|
| n/a |
|---|
| Name | BDBM50345582 |
|---|
| Synonyms: | 2-(4-(4-(3-((2-carbamoyl-1-methyl-1H-imidazol-5-yl)ethynyl)-4-methylbenzamido)-2-(trifluoromethyl)benzyl)piperazin-1-yl)acetic acid | CHEMBL1784639 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C29H29F3N6O4 |
|---|
| Mol. Mass. | 582.5736 |
|---|
| SMILES | Cc1ccc(cc1C#Cc1cnc(C(N)=O)n1C)C(=O)Nc1ccc(CN2CCN(CC(O)=O)CC2)c(c1)C(F)(F)F |
|---|
| Structure | 
|
|---|
Search and Browse
