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Target
Microtubule-associated serine/threonine-protein kinase 3
Ligand
BDBM50439427
Substrate
n/a
Meas. Tech.
ChEMBL_980178 (CHEMBL2424216)
IC50
2400±n/a nM
Citation
 Li, B; Cociorva, OM; Nomanbhoy, T; Weissig, H; Li, Q; Nakamura, K; Liyanage, M; Zhang, MC; Shih, AY; Aban, A; Hu, Y; Cajica, J; Pham, L; Kozarich, JW; Shreder, KR Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors. Bioorg Med Chem Lett 23:5217-22 (2013) [PubMed]  Article 
Target
Name:
Microtubule-associated serine/threonine-protein kinase 3
Synonyms:
KIAA0561 | MAST3 | MAST3_HUMAN
Type:
PROTEIN
Mol. Mass.:
143157.77
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107645
Residue:
1309
Sequence:
MDESSLLRRRGLQKELSLPRRGRGCRSGNRKSLVVGTPSPTLSRPLSPLSVPTAGSSPLDSPRNFSAASALNFPFARRADGRRWSLASLPSSGYGTNTPSSTLSSSSSSRERLHQLPFQPTPDELHFLSKHFRSSENVLDEEGGRSPRLRPRSRSLSPGRATGTFDNEIVMMNHVYRERFPKATAQMEGRLQEFLTAYAPGARLALADGVLGFIHHQIVELARDCLAKSGENLVTSRYFLEMQEKLERLLQDAHERSDSEEVSFIVQLVRKLLIIISRPARLLECLEFDPEEFYHLLEAAEGHAREGQGIKTDLPQYIIGQLGLAKDPLEEMVPLSHLEEEQPPAPESPESRALVGQSRRKPCESDFETIKLISNGAYGAVYLVRHRDTRQRFAIKKINKQNLILRNQIQQVFVERDILTFAENPFVVSMFCSFETRRHLCMVMEYVEGGDCATLLKNMGPLPVDMARLYFAETVLALEYLHNYGIVHRDLKPDNLLITSLGHIKLTDFGLSKIGLMSMATNLYEGHIEKDAREFIDKQVCGTPEYIAPEVIFRQGYGKPVDWWAMGVVLYEFLVGCVPFFGDTPEELFGQVVSDEIMWPEGDEALPADAQDLITRLLRQSPLDRLGTGGTHEVKQHPFFLALDWAGLLRHKAEFVPQLEAEDDTSYFDTRSERYRHLGSEDDETNDEESSTEIPQFSSCSHRFSKVYSSSEFLAVQPTPTFAERSFSEDREEGWERSEVDYGRRLSADIRLRSWTSSGSSCQSSSSQPERGPSPSLLNTISLDTMPKFAFSSEDEGVGPGPAGPKRPVFILGEPDPPPAATPVMPKPSSLSADTAALSHARLRSNSIGARHSTPRPLDAGRGRRLGGPRDPAPEKSRASSSGGSGGGSGGRVPKSASVSALSLIITADDGSGGPLMSPLSPRSLSSNPSSRDSSPSRDPSPVCGSLRPPIVIHSSGKKYGFSLRAIRVYMGDSDVYTVHHVVWSVEDGSPAQEAGLRAGDLITHINGESVLGLVHMDVVELLLKSGNKISLRTTALENTSIKVGPARKNVAKGRMARRSKRSRRRETQDRRKSLFKKISKQTSVLHTSRSFSSGLHHSLSSSESLPGSPTHSLSPSPTTPCRSPAPDVPADTTASPPSASPSSSSPASPAAAGHTRPSSLHGLAAKLGPPRPKTGRRKSTSSIPPSPLACPPISAPPPRSPSPLPGHPPAPARSPRLRRGQSADKLGTGERLDGEAGRRTRGPEAELVVMRRLHLSERRDSFKKQEAVQEVSFDEPQEEATGLPTSVPQIAVEGEEAVPVALGPTGRD
  
Inhibitor
Name:
BDBM50439427
Synonyms:
CHEMBL2420565
Type:
Small organic molecule
Emp. Form.:
C27H31N5O2
Mol. Mass.:
457.5673
SMILES:
CCC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:3.3,14.13,wD:17.17,(25.34,-27.51,;24.01,-28.28,;22.67,-27.51,;22.67,-25.97,;21.34,-25.2,;20.01,-25.97,;20.01,-27.51,;18.67,-25.2,;17.34,-25.97,;16.01,-25.2,;16.01,-23.66,;14.67,-22.89,;14.67,-21.35,;13.34,-20.58,;12.01,-21.35,;12.01,-22.89,;10.67,-23.66,;9.34,-22.89,;8,-23.66,;9.34,-21.35,;10.67,-20.58,;16.01,-20.58,;16.33,-19.08,;17.86,-18.91,;18.48,-20.32,;17.34,-21.35,;17.34,-22.89,;18.67,-23.66,;24.01,-25.2,;24.01,-23.66,;25.34,-22.89,;26.68,-23.66,;26.68,-25.2,;25.34,-25.97,)|
Structure:
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