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Target
Cyclin-K
Ligand
BDBM50466216
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
9.0±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:
BDBM50466216
Synonyms:
CHEMBL4291684
Type:
Small organic molecule
Emp. Form.:
C25H35ClN6O2S
Mol. Mass.:
519.102
SMILES:
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:9.12,3.3,wD:6.5,(61.2,-38.57,;62.54,-37.81,;63.87,-38.57,;65.2,-37.81,;65.2,-36.28,;66.54,-38.57,;67.86,-37.81,;69.2,-38.57,;70.54,-37.81,;70.54,-36.27,;69.2,-35.49,;67.86,-36.27,;71.87,-35.49,;73.2,-36.27,;74.54,-35.49,;75.87,-36.27,;77.2,-35.49,;77.37,-33.96,;78.88,-33.65,;79.65,-34.98,;81.18,-34.97,;81.96,-36.3,;83.5,-36.3,;84.26,-37.63,;85.79,-37.63,;86.57,-36.3,;85.79,-34.96,;84.25,-34.96,;82.71,-37.63,;81.93,-38.95,;78.61,-36.12,;75.87,-37.81,;77.2,-38.57,;74.54,-38.57,;73.2,-37.81,)|
Structure:
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