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Target
Cyclin-K
Ligand
BDBM50466233
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
80±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:
BDBM50466233
Synonyms:
CHEMBL4285545
Type:
Small organic molecule
Emp. Form.:
C23H34ClN5OS
Mol. Mass.:
464.067
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(29.74,-19.11,;31.08,-18.34,;32.41,-19.11,;33.74,-18.34,;35.08,-19.11,;36.41,-18.34,;37.74,-19.11,;39.08,-18.34,;39.08,-16.8,;37.74,-16.03,;36.41,-16.8,;40.41,-16.03,;41.74,-16.8,;43.08,-16.03,;44.41,-16.8,;45.74,-16.03,;45.9,-14.5,;47.41,-14.18,;48.18,-15.51,;49.72,-15.51,;50.49,-16.84,;52.03,-16.83,;52.94,-18.07,;54.41,-17.59,;54.4,-16.05,;52.94,-15.58,;47.15,-16.65,;44.41,-18.34,;45.74,-19.11,;43.08,-19.11,;41.74,-18.34,)|
Structure:
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