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Target
Cyclin-K
Ligand
BDBM50466240
Substrate
n/a
Meas. Tech.
ChEMBL_1792118 (CHEMBL4264037)
IC50
12±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:
BDBM50466240
Synonyms:
CHEMBL4286005
Type:
Small organic molecule
Emp. Form.:
C24H36ClN5O2S
Mol. Mass.:
494.093
SMILES:
COCCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1 |r,wU:9.12,wD:6.5,(2.35,-31.12,;3.68,-31.9,;3.67,-33.44,;5.01,-34.21,;5,-35.75,;6.33,-36.53,;7.67,-35.76,;9,-36.54,;10.34,-35.77,;10.33,-34.24,;9,-33.46,;7.67,-34.22,;11.67,-33.47,;13,-34.24,;14.33,-33.47,;15.67,-34.23,;17,-33.46,;17.05,-31.92,;18.52,-31.48,;19.39,-32.76,;20.93,-32.81,;21.66,-34.17,;23.2,-34.22,;23.92,-35.58,;25.45,-35.64,;26.27,-34.34,;25.55,-32.97,;24,-32.92,;18.45,-33.98,;15.67,-35.78,;17.01,-36.55,;14.33,-36.55,;13,-35.78,)|
Structure:
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