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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50204719
Substrate
n/a
Meas. Tech.
ChEMBL_442099 (CHEMBL891237)
IC50
12±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:
BDBM50204719
Synonyms:
4-(6-(((1r,4r)-4-hydroxycyclohexyl)carbamoyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)benzoic acid | CHEMBL242523
Type:
Small organic molecule
Emp. Form.:
C24H23N3O4
Mol. Mass.:
417.4571
SMILES:
O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C(O)=O)c1 |wU:4.7,wD:1.0,(16.94,-33.49,;18.28,-32.72,;19.61,-33.49,;20.95,-32.71,;20.93,-31.18,;19.6,-30.41,;18.28,-31.18,;22.26,-30.4,;23.59,-31.16,;23.6,-32.7,;24.92,-30.39,;24.92,-28.84,;26.24,-28.06,;27.58,-28.82,;27.59,-30.37,;29.07,-30.84,;29.97,-29.59,;31.45,-29.1,;31.44,-27.54,;29.96,-27.06,;29.05,-28.33,;32.7,-29.99,;32.54,-31.52,;33.79,-32.42,;35.2,-31.79,;35.34,-30.25,;34.09,-29.36,;36.45,-32.69,;37.85,-32.05,;36.3,-34.22,;26.26,-31.15,)|
Structure:
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