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Target
Cyclin-K
Ligand
BDBM50466213
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
84±n/a nM
Citation
 Wang, B; Wu, J; Wu, Y; Chen, C; Zou, F; Wang, A; Wu, H; Hu, Z; Jiang, Z; Liu, Q; Wang, W; Zhang, Y; Liu, F; Zhao, M; Hu, J; Huang, T; Ge, J; Wang, L; Ren, T; Wang, Y; Liu, J; Liu, Q Discovery of 4-(((4-(5-chloro-2-(((1s,4s)-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile (JSH-150) as a novel highly selective and potent CDK9 kinase inhibitor. Eur J Med Chem 158:896-916 (2018) [PubMed]  Article 
Target
Name:
Cyclin-K
Synonyms:
CCNK | CCNK_HUMAN | CPR4
Type:
PROTEIN
Mol. Mass.:
64254.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107901
Residue:
580
Sequence:
MKENKENSSPSVTSANLDHTKPCWYWDKKDLAHTPSQLEGLDPATEARYRREGARFIFDVGTRLGLHYDTLATGIIYFHRFYMFHSFKQFPRYVTGACCLFLAGKVEETPKKCKDIIKTARSLLNDVQFGQFGDDPKEEVMVLERILLQTIKFDLQVEHPYQFLLKYAKQLKGDKNKIQKLVQMAWTFVNDSLCTTLSLQWEPEIIAVAVMYLAGRLCKFEIQEWTSKPMYRRWWEQFVQDVPVDVLEDICHQILDLYSQGKQQMPHHTPHQLQQPPSLQPTPQVPQVQQSQPSQSSEPSQPQQKDPQQPAQQQQPAQQPKKPSPQPSSPRQVKRAVVVSPKEENKAAEPPPPKIPKIETTHPPLPPAHPPPDRKPPLAAALGEAEPPGPVDATDLPKVQIPPPAHPAPVHQPPPLPHRPPPPPPSSYMTGMSTTSSYMSGEGYQSLQSMMKTEGPSYGALPPAYGPPAHLPYHPHVYPPNPPPPPVPPPPASFPPPAIPPPTPGYPPPPPTYNPNFPPPPPRLPPTHAVPPHPPPGLGLPPASYPPPAVPPGGQPPVPPPIPPPGMPPVGGLGRAAWMR
  
Inhibitor
Name:
BDBM50466213
Synonyms:
CHEMBL4290724
Type:
Small organic molecule
Emp. Form.:
C21H30ClN5OS
Mol. Mass.:
436.014
SMILES:
N[C@H]1CC[C@H](CNc2cc(-c3csc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |r,wU:1.0,wD:4.4,(16.22,-18.24,;17.55,-19.02,;18.89,-18.26,;20.22,-19.04,;20.2,-20.58,;21.53,-21.36,;21.52,-22.9,;22.86,-23.68,;24.2,-22.9,;25.53,-23.67,;26.86,-22.89,;26.91,-21.35,;28.39,-20.91,;29.25,-22.2,;30.79,-22.2,;31.56,-20.86,;33.1,-20.86,;33.87,-22.2,;35.41,-22.2,;36.18,-20.86,;35.41,-19.52,;33.87,-19.52,;28.31,-23.41,;25.54,-25.22,;26.87,-25.98,;24.2,-25.98,;22.85,-25.22,;18.87,-21.35,;17.54,-20.56,)|
Structure:
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