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Target
Cyclin-K
Ligand
BDBM50466214
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
114±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:
BDBM50466214
Synonyms:
CHEMBL4279156
Type:
Small organic molecule
Emp. Form.:
C23H35N5O2S
Mol. Mass.:
445.621
SMILES:
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1csc(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(32.34,-39.21,;32.33,-40.75,;33.66,-41.52,;33.66,-43.06,;34.99,-43.84,;36.33,-43.07,;37.66,-43.85,;39,-43.08,;38.99,-41.55,;37.66,-40.77,;36.33,-41.53,;40.33,-40.78,;41.66,-41.55,;42.99,-40.78,;44.32,-41.54,;44.33,-43.09,;42.99,-43.86,;41.66,-43.09,;45.66,-40.76,;45.71,-39.23,;47.18,-38.79,;48.05,-40.07,;49.59,-40.12,;50.32,-41.48,;51.86,-41.53,;52.57,-42.89,;54.11,-42.95,;54.93,-41.64,;54.2,-40.28,;52.66,-40.23,;47.1,-41.29,)|
Structure:
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