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Target
Cyclin-K
Ligand
BDBM50466234
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
107±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:
BDBM50466234
Synonyms:
CHEMBL4285140
Type:
Small organic molecule
Emp. Form.:
C22H32ClN5OS
Mol. Mass.:
450.04
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(1.94,-17.69,;3.27,-16.92,;4.6,-17.69,;5.94,-16.92,;7.28,-17.69,;8.61,-16.92,;9.94,-17.69,;11.27,-16.92,;11.27,-15.38,;9.94,-14.61,;8.61,-15.38,;12.6,-14.61,;13.94,-15.38,;15.28,-14.61,;16.61,-15.38,;17.94,-14.61,;18.1,-13.07,;19.61,-12.76,;20.38,-14.09,;21.91,-14.08,;22.69,-15.42,;24.23,-15.41,;25.32,-16.5,;26.4,-15.4,;25.31,-14.32,;19.35,-15.23,;16.61,-16.92,;17.94,-17.69,;15.28,-17.69,;13.94,-16.92,)|
Structure:
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