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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50204709
Substrate
n/a
Meas. Tech.
ChEMBL_442099 (CHEMBL891237)
IC50
1042±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:
BDBM50204709
Synonyms:
4-(6-(((1r,4r)-4-methylcyclohexylamino)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzenamine | CHEMBL390222
Type:
Small organic molecule
Emp. Form.:
C24H28N4
Mol. Mass.:
372.5059
SMILES:
C[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(N)cc2)c1 |wU:4.7,wD:1.0,(-9.34,-20.62,;-8.01,-19.86,;-6.68,-20.63,;-5.34,-19.87,;-5.33,-18.33,;-6.67,-17.56,;-8,-18.32,;-4,-17.57,;-2.67,-18.34,;-1.33,-17.57,;-1.33,-16.02,;-0,-15.25,;1.33,-16.02,;1.33,-17.57,;2.81,-18.05,;3.72,-16.8,;5.2,-16.32,;5.2,-14.76,;3.72,-14.28,;2.8,-15.54,;6.44,-17.22,;6.28,-18.75,;7.52,-19.66,;8.93,-19.03,;10.17,-19.94,;9.08,-17.5,;7.84,-16.6,;-0,-18.34,)|
Structure:
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