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Target
Thymidylate synthase
Ligand
BDBM50347390
Substrate
n/a
Meas. Tech.
ChEMBL_754942 (CHEMBL1806064)
IC50
156±n/a nM
Citation
 Lockman, JW; Murphy, BR; Zigar, DF; Judd, WR; Slattum, PM; Gao, ZH; Ostanin, K; Green, J; McKinnon, R; Terry-Lorenzo, RT; Fleischer, TC; Boniface, JJ; Shenderovich, M; Willardsen, JA Analogues of 4-[(7-Bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methylprop-2-ynylamino]-N-(3-pyridylmethyl)benzamide (CB-30865) as potent inhibitors of nicotinamide phosphoribosyltransferase (Nampt). J Med Chem 53:8734-46 (2010) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase
Type:
Enzyme
Mol. Mass.:
35718.07
Organism:
Human
Description:
n/a
Residue:
313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50347390
Synonyms:
CHEMBL1801872
Type:
Small organic molecule
Emp. Form.:
C26H22BrN5O2
Mol. Mass.:
516.389
SMILES:
Cc1nc2cc(Br)c(CN(CC#C)c3ccc(cc3)C(=O)NCc3ccccn3)cc2c(=O)[nH]1
Structure:
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