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Target
Cyclin-K
Ligand
BDBM50466218
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
14±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:
BDBM50466218
Synonyms:
CHEMBL4278245
Type:
Small organic molecule
Emp. Form.:
C24H30ClN5OS
Mol. Mass.:
472.046
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCc3ccccc3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(31.82,-28.21,;33.16,-27.44,;34.48,-28.21,;35.82,-27.44,;37.16,-28.21,;38.49,-27.44,;39.82,-28.21,;41.16,-27.44,;41.16,-25.9,;39.82,-25.13,;38.49,-25.9,;42.49,-25.13,;43.82,-25.9,;45.16,-25.13,;46.49,-25.9,;47.83,-25.13,;47.98,-23.59,;49.49,-23.28,;50.26,-24.61,;51.8,-24.6,;52.57,-25.93,;54.11,-25.93,;54.88,-27.26,;56.42,-27.26,;57.18,-25.92,;56.4,-24.58,;54.87,-24.6,;49.23,-25.75,;46.49,-27.44,;47.83,-28.21,;45.16,-28.21,;43.82,-27.44,)|
Structure:
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