Ki Summary

Reaction Details

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Target

Serine/threonine-protein kinase Chk1

Ligand

BDBM50212514

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_447306 (CHEMBL896339)

IC50

1.2±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

BDBM50212514

n/a

Name

BDBM50212514

Synonyms:

CHEMBL234654 | N-[3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,2-c]pyrazol-6-yl]-2-(4-hydroxy-cyclohexylamino)-acetamide

Type

Small organic molecule

Emp. Form.

C30H30N4O3

Mol. Mass.

494.5842

SMILES

O[C@H]1CC[C@@H](CC1)NCC(=O)Nc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(-6.95,-26.22,;-6.96,-27.76,;-8.3,-28.52,;-8.3,-30.07,;-6.97,-30.84,;-5.63,-30.07,;-5.63,-28.54,;-6.97,-32.38,;-5.64,-33.15,;-4.3,-32.38,;-4.3,-30.84,;-2.97,-33.15,;-1.64,-32.38,;-1.64,-30.84,;-.31,-30.07,;1.03,-30.83,;1.03,-32.38,;2.5,-32.86,;3.42,-31.61,;4.9,-31.13,;4.9,-29.57,;3.42,-29.09,;2.5,-30.35,;6.14,-32.04,;5.98,-33.57,;7.22,-34.47,;8.63,-33.85,;8.79,-32.31,;7.54,-31.41,;9.87,-34.75,;9.71,-36.28,;10.95,-37.19,;12.36,-36.56,;13.61,-37.46,;12.52,-35.02,;11.27,-34.12,;-.3,-33.15,)|

Structure