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Target
Cyclin-K
Ligand
BDBM50466219
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
27±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:
BDBM50466219
Synonyms:
CHEMBL4293383
Type:
Small organic molecule
Emp. Form.:
C24H36ClN5OS
Mol. Mass.:
478.094
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCCCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(60.13,-16.78,;61.47,-16.01,;62.8,-16.78,;64.13,-16.01,;65.47,-16.78,;66.8,-16.01,;68.13,-16.78,;69.47,-16.01,;69.47,-14.47,;68.13,-13.7,;66.8,-14.47,;70.8,-13.7,;72.13,-14.47,;73.47,-13.7,;74.8,-14.47,;76.14,-13.7,;76.29,-12.16,;77.8,-11.85,;78.57,-13.18,;80.11,-13.17,;80.88,-14.5,;82.42,-14.5,;83.19,-15.83,;84.72,-15.83,;85.49,-14.5,;84.72,-13.16,;83.18,-13.16,;77.54,-14.32,;74.8,-16.01,;76.14,-16.78,;73.47,-16.78,;72.13,-16.01,)|
Structure:
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