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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50204697
Substrate
n/a
Meas. Tech.
ChEMBL_442102 (CHEMBL891240)
EC50
2300±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 Chem 15:2759-67 (2007) [PubMed]  Article 
Target
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:
MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGFSKHIQSNLDFSPVNSASSEENVKYSSSQPEPRTGLSLWDTSPSYIDKLVQGISFSQPTCPDHMLLNSQLLGTPGSSQNPWQRLVKRMTRFFTKLDADKSYQCLKETCEKLGYQWKKSCMNQVTISTTDRRNNKLIFKVNLLEMDDKILVDFRLSKGDGLEFKRHFLKIKGKLIDIVSSQKIWLPAT
  
Inhibitor
Name:
BDBM50204697
Synonyms:
4'-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl}-biphenyl-4-ol | CHEMBL242535
Type:
Small organic molecule
Emp. Form.:
C29H29N3O2
Mol. Mass.:
451.5595
SMILES:
O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(18.83,-48.79,;20.09,-47.9,;21.49,-48.55,;22.76,-47.66,;22.6,-46.13,;21.21,-45.48,;19.96,-46.37,;23.86,-45.24,;25.26,-45.88,;26.51,-44.99,;26.37,-43.45,;27.62,-42.56,;29.02,-43.19,;29.17,-44.74,;30.68,-45.07,;31.48,-43.74,;32.9,-43.12,;32.75,-41.58,;31.23,-41.24,;30.44,-42.57,;34.23,-43.9,;34.22,-45.44,;35.53,-46.23,;36.88,-45.47,;36.89,-43.92,;35.56,-43.15,;38.2,-46.25,;38.19,-47.78,;39.51,-48.56,;40.85,-47.8,;42.18,-48.58,;40.86,-46.25,;39.53,-45.49,;27.92,-45.63,)|
Structure:
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