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Target
Tyrosine-protein kinase ABL1
Ligand
BDBM60029
Substrate
n/a
Meas. Tech.
TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1
IC50
24879±n/a nM
Citation
 PubChem, PC TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl) PubChem Bioassay (2012)[AID] 
Target
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:
MLEICLKLVGCKSKKGLSSSSSCYLEEALQRPVASDFEPQGLSEAARWNSKENLLAGPSENDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGVRGAVSTLLQAPELPTKTRTSRRAAEHRDTTDVPEMPHSKGQGESDPLDHEPAVSPLLPRKERGPPEGGLNEDERLLPKDKKTNLFSALIKKKKKTAPTPPKRSSSFREMDGQPERRGAGEEEGRDISNGALAFTPLDTADPAKSPKPSNGAGVPNGALRESGGSGFRSPHLWKKSSTLTSSRLATGEEEGGGSSSKRFLRSCSASCVPHGAKDTEWRSVTLPRDLQSTGRQFDSSTFGGHKSEKPALPRKRAGENRSDQVTRGTVTPPPRLVKKNEEAADEVFKDIMESSPGSSPPNLTPKPLRRQVTVAPASGLPHKEEAGKGSALGTPAAAEPVTPTSKAGSGAPGGTSKGPAEESRVRRHKHSSESPGRDKGKLSRLKPAPPPPPAASAGKAGGKPSQSPSQEAAGEAVLGAKTKATSLVDAVNSDAAKPSQPGEGLKKPVLPATPKPQSAKPSGTPISPAPVPSTLPSASSALAGDQPSSTAFIPLISTRVSLRKTRQPPERIASGAITKGVVLDSTEALCLAISRNSEQMASHSAVLEAGKNLYTFCVSYVDSIQQMRNKFAFREAINKLENNLRELQICPATAGSGPAATQDFSKLLSSVKEISDIVQR
  
Inhibitor
Name:
BDBM60029
Synonyms:
2-[2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | 2-[2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | 2-[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | 2-[2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid | MLS000374747 | SMR000242164 | cid_3879650
Type:
Small organic molecule
Emp. Form.:
C27H25N5O3S
Mol. Mass.:
499.584
SMILES:
Cc1ccc(c(C)c1)-n1c(SCC(=O)N2Cc3ccccc3CC2C(O)=O)nnc1-c1cccnc1 |(3.08,-.34,;4.54,-.82,;4.86,-2.32,;6.33,-2.8,;7.47,-1.77,;7.15,-.26,;8.3,.77,;5.69,.21,;8.94,-2.24,;10.18,-1.34,;10.18,.2,;11.52,.97,;11.52,2.51,;10.18,3.28,;12.85,3.28,;14.19,2.51,;15.52,3.28,;16.9,2.46,;18.29,3.25,;18.29,4.85,;16.9,5.64,;15.52,4.82,;14.19,5.59,;12.85,4.82,;11.52,5.59,;11.52,7.13,;10.18,4.82,;11.43,-2.24,;10.95,-3.71,;9.41,-3.71,;8.51,-4.96,;9.14,-6.36,;8.23,-7.61,;6.7,-7.45,;6.07,-6.04,;6.98,-4.79,)|
Structure:
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