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Target
Cyclin-K
Ligand
BDBM50466222
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:
BDBM50466222
Synonyms:
CHEMBL4279576
Type:
Small organic molecule
Emp. Form.:
C23H33ClN4O2S2
Mol. Mass.:
497.117
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(SCC3CCOCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(29.21,-54,;30.55,-53.23,;31.88,-54.01,;33.22,-53.24,;34.55,-54.02,;35.88,-53.25,;37.22,-54.03,;38.56,-53.26,;38.55,-51.73,;37.22,-50.95,;35.89,-51.71,;39.88,-50.96,;41.22,-51.73,;42.55,-50.96,;43.88,-51.72,;45.21,-50.95,;45.26,-49.41,;46.74,-48.97,;47.61,-50.25,;49.15,-50.3,;49.87,-51.66,;51.41,-51.71,;52.13,-53.07,;53.66,-53.13,;54.48,-51.82,;53.76,-50.46,;52.22,-50.41,;46.66,-51.47,;43.89,-53.27,;45.22,-54.04,;42.55,-54.04,;41.22,-53.27,)|
Structure:
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