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Target
Cyclin-K
Ligand
BDBM50466221
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
17±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:
BDBM50466221
Synonyms:
CHEMBL4281710
Type:
Small organic molecule
Emp. Form.:
C19H25ClF3N5OS
Mol. Mass.:
463.948
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC(F)(F)F)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(24.29,-8.21,;25.62,-7.44,;26.95,-8.21,;28.28,-7.44,;29.62,-8.21,;30.95,-7.44,;32.28,-8.21,;33.61,-7.44,;33.61,-5.91,;32.28,-5.14,;30.95,-5.91,;34.94,-5.14,;36.28,-5.91,;37.61,-5.14,;38.94,-5.91,;40.27,-5.14,;40.43,-3.61,;41.94,-3.29,;42.71,-4.62,;44.23,-4.78,;45.14,-3.54,;46.67,-3.53,;47.44,-4.86,;47.44,-2.2,;48.21,-3.53,;41.68,-5.76,;38.94,-7.44,;40.27,-8.21,;37.61,-8.21,;36.28,-7.44,)|
Structure:
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