Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase Chk1

Ligand

BDBM50212496

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_447306 (CHEMBL896339)

IC50

0.240000±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

BDBM50212496

n/a

Name

BDBM50212496

Synonyms:

3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-1,4-dihydro-indeno[1,2-c]pyrazole-6-carboxylic acid (4-hydroxy-cyclohexyl)-amide | CHEMBL428196

Type

Small organic molecule

Emp. Form.

C30H29N3O4

Mol. Mass.

495.569

SMILES

COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1C(=O)N[C@H]1CC[C@H](O)CC1 |wU:30.34,wD:33.38,(18.38,-1.88,;18.38,-3.42,;19.72,-4.19,;21.04,-3.42,;22.38,-4.18,;22.38,-5.73,;23.86,-6.21,;24.77,-4.97,;26.25,-4.49,;26.25,-2.93,;24.77,-2.45,;23.85,-3.7,;27.5,-5.39,;27.33,-6.92,;28.57,-7.83,;29.98,-7.2,;30.14,-5.66,;28.89,-4.76,;31.22,-8.1,;31.06,-9.64,;32.31,-10.54,;33.71,-9.91,;34.96,-10.82,;33.87,-8.37,;32.62,-7.48,;21.05,-6.51,;19.71,-5.73,;18.38,-6.5,;18.38,-8.04,;17.05,-5.73,;15.71,-6.5,;15.72,-8.03,;14.38,-8.8,;13.05,-8.02,;11.71,-8.79,;13.06,-6.48,;14.39,-5.72,)|

Structure