Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase Chk1

Ligand

BDBM50204728

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_442099 (CHEMBL891237)

IC50

3064±n/a nM

Citation

Tong, Y; Claiborne, A; Stewart, KD; Park, C; Kovar, P; Chen, Z; Credo, RB; Gu, WZ; Gwaltney, SL; Judge, RA; Zhang, H; Rosenberg, SH; Sham, HL; Sowin, TJ; Lin, NH Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors. Bioorg Med Chem15:2759-67 (2007) [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

BDBM50204728

n/a

Name

BDBM50204728

Synonyms:

4-(6-(((1r,4r)-4-hydroxycyclohexylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)-N-(phenylsulfonyl)benzamide | CHEMBL396027

Type

Small organic molecule

Emp. Form.

C30H30N4O4S

Mol. Mass.

542.649

SMILES

O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)C(=O)NS(=O)(=O)c2ccccc2)c1 |wU:4.7,wD:1.0,(-8.65,-24.5,;-7.32,-23.73,;-5.99,-24.49,;-4.65,-23.74,;-4.64,-22.2,;-5.98,-21.43,;-7.3,-22.19,;-3.31,-21.44,;-1.98,-22.2,;-.65,-21.44,;-.64,-19.89,;.68,-19.12,;2.02,-19.88,;2.02,-21.44,;3.49,-21.92,;4.41,-20.67,;3.49,-19.41,;4.4,-18.16,;5.88,-18.64,;5.88,-20.19,;7.13,-21.09,;6.97,-22.62,;8.21,-23.52,;9.61,-22.9,;9.77,-21.37,;8.52,-20.47,;10.86,-23.8,;10.7,-25.33,;12.26,-23.17,;13.51,-24.07,;12.61,-25.31,;14.4,-22.83,;14.75,-24.98,;14.58,-26.5,;15.83,-27.4,;17.24,-26.77,;17.39,-25.23,;16.14,-24.34,;.69,-22.21,)|

Structure