Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase Chk1

Ligand

BDBM50212490

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_447306 (CHEMBL896339)

IC50

18±n/a nM

Citation

Tong, Y; Claiborne, A; Pyzytulinska, M; Tao, ZF; Stewart, KD; Kovar, P; Chen, Z; Credo, RB; Guan, R; Merta, PJ; Zhang, H; Bouska, J; Everitt, EA; Murry, BP; Hickman, D; Stratton, TJ; Wu, J; Rosenberg, SH; Sham, HL; Sowin, TJ; Lin, NH 1,4-Dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: extended exploration on phenyl ring substitutions and preliminary ADME/PK studies. Bioorg Med Chem Lett17:3618-23 (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

BDBM50212490

n/a

Name

BDBM50212490

Synonyms:

3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-4,4-dimethyl-1,4-dihydro-indeno[1,2-c]pyrazole-6-carboxylic acid (4-hydroxy-cyclohexyl)-amide | CHEMBL233640

Type

Small organic molecule

Emp. Form.

C32H33N3O4

Mol. Mass.

523.6221

SMILES

COc1cc-2c(cc1C(=O)N[C@H]1CC[C@H](O)CC1)C(C)(C)c1c(n[nH]c-21)-c1ccc(cc1)-c1ccc(O)cc1 |wU:11.11,wD:14.15,(-3.5,5.22,;-3.5,3.68,;-2.16,2.91,;-.84,3.68,;.5,2.91,;.5,1.36,;-.83,.59,;-2.17,1.36,;-3.5,.6,;-3.5,-.94,;-4.83,1.37,;-6.17,.6,;-6.17,-.94,;-7.51,-1.7,;-8.84,-.93,;-10.18,-1.69,;-8.84,.61,;-7.51,1.37,;1.97,.89,;3.45,.49,;1.11,-.39,;2.88,2.14,;4.36,2.62,;4.36,4.17,;2.89,4.65,;1.97,3.39,;5.6,1.72,;5.43,.19,;6.67,-.72,;8.08,-.1,;8.24,1.44,;7,2.34,;9.33,-1,;9.16,-2.53,;10.41,-3.43,;11.82,-2.81,;13.06,-3.71,;11.97,-1.27,;10.73,-.37,)|

Structure