Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase Chk1

Ligand

BDBM50053234

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1458470 (CHEMBL3370356)

IC50

5.4±n/a nM

Citation

Song, P; Peng, P; Han, M; Cao, X; Ma, X; Liu, T; Zhou, Y; Hu, Y Design, synthesis and biological evaluation of thienopyridinones as Chk1 inhibitors. Bioorg Med Chem22:4882-92 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Serine/threonine-protein kinase Chk1

Name:

Serine/threonine-protein kinase Chk1

Synonyms:

CHEK1 | CHK1 | CHK1 checkpoint homolog | CHK1_HUMAN | Checkpoint kinase-1 (CHK1)

Type:

Enzyme Catalytic Domain

Mol. Mass.:

54443.02

Organism:

Homo sapiens (Human)

Description:

gi_166295192

Residue:

476

Sequence:

MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINK
MLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVY
LHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLK
RREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLA
LLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGFSKHIQSNLDF
SPVNSASSEENVKYSSSQPEPRTGLSLWDTSPSYIDKLVQGISFSQPTCPDHMLLNSQLL
GTPGSSQNPWQRLVKRMTRFFTKLDADKSYQCLKETCEKLGYQWKKSCMNQVTISTTDRR
NNKLIFKVNLLEMDDKILVDFRLSKGDGLEFKRHFLKIKGKLIDIVSSQKIWLPAT

BDBM50053234

n/a

Name

BDBM50053234

Synonyms:

CHEMBL3330233

Type

Small organic molecule

Emp. Form.

C22H22ClN5O2S

Mol. Mass.

455.96

SMILES

COc1ccc2[nH]c(nc2c1)-c1c(NC2CN3CCC2CC3)c2cc(Cl)sc2[nH]c1=O |(4.33,-25.42,;5.88,-25.42,;6.65,-24.08,;5.88,-22.74,;6.65,-21.41,;8.18,-21.41,;9.22,-20.26,;10.63,-20.89,;10.47,-22.43,;8.96,-22.74,;8.18,-24.08,;11.97,-20.12,;13.3,-20.89,;13.3,-22.44,;14.63,-23.2,;14.63,-24.74,;15.96,-25.51,;17.29,-24.74,;17.29,-23.2,;15.96,-22.43,;15.15,-23.8,;16.74,-23.8,;14.63,-20.12,;16.1,-20.6,;17.01,-19.35,;18.55,-19.35,;16.1,-18.11,;14.63,-18.58,;13.3,-17.81,;11.97,-18.58,;10.63,-17.81,)|

Structure