Reaction Details Report a problem with these data
Target
Hypoxia-inducible factor 1-alpha
Ligand
BDBM50329888
Substrate
n/a
Meas. Tech.
ChEMBL_675858 (CHEMBL1272616)
IC50
3500±n/a nM
Citation
 Yewalkar, N; Deore, V; Padgaonkar, A; Manohar, S; Sahu, B; Kumar, P; Jalota-Badhwar, A; Joshi, KS; Sharma, S; Kumar, S Development of novel inhibitors targeting HIF-1a towards anticancer drug discovery. Bioorg Med Chem Lett 20:6426-9 (2010) [PubMed]  Article 
Target
Name:
Hypoxia-inducible factor 1-alpha
Synonyms:
BHLHE78 | HIF-1-alpha | HIF-1-alpha, HIF-2-alpha | HIF1A | HIF1A_HUMAN | Hypoxia inducible factors | Hypoxia-inducible factor 1 alpha | Hypoxia-inducible factor 1-alpha | MOP1 | PASD8 | von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A
Type:
Protein
Mol. Mass.:
92647.24
Organism:
Homo sapiens (Human)
Description:
Q16665
Residue:
826
Sequence:
MEGAGGANDKKKISSERRKEKSRDAARSRRSKESEVFYELAHQLPLPHNVSSHLDKASVMRLTISYLRVRKLLDAGDLDIEDDMKAQMNCFYLKALDGFVMVLTDDGDMIYISDNVNKYMGLTQFELTGHSVFDFTHPCDHEEMREMLTHRNGLVKKGKEQNTQRSFFLRMKCTLTSRGRTMNIKSATWKVLHCTGHIHVYDTNSNQPQCGYKKPPMTCLVLICEPIPHPSNIEIPLDSKTFLSRHSLDMKFSYCDERITELMGYEPEELLGRSIYEYYHALDSDHLTKTHHDMFTKGQVTTGQYRMLAKRGGYVWVETQATVIYNTKNSQPQCIVCVNYVVSGIIQHDLIFSLQQTECVLKPVESSDMKMTQLFTKVESEDTSSLFDKLKKEPDALTLLAPAAGDTIISLDFGSNDTETDDQQLEEVPLYNDVMLPSPNEKLQNINLAMSPLPTAETPKPLRSSADPALNQEVALKLEPNPESLELSFTMPQIQDQTPSPSDGSTRQSSPEPNSPSEYCFYVDSDMVNEFKLELVEKLFAEDTEAKNPFSTQDTDLDLEMLAPYIPMDDDFQLRSFDQLSPLESSSASPESASPQSTVTVFQQTQIQEPTANATTTTATTDELKTVTKDRMEDIKILIASPSPTHIHKETTSATSSPYRDTQSRTASPNRAGKGVIEQTEKSHPRSPNVLSVALSQRTTVPEEELNPKILALQNAQRKRKMEHDGSLFQAVGIGTLLQQPDDHAATTSLSWKRVKGCKSSEQNGMEQKTIILIPSDLACRLLGQSMDESGLPQLTSYDCEVNAPIQGSRNLLQGEELLRALDQVN
  
Inhibitor
Name:
BDBM50329888
Synonyms:
2-chloro-N-(6-(4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-yl)acetamide | CHEMBL1271979
Type:
Small organic molecule
Emp. Form.:
C13H10ClF3N4O2
Mol. Mass.:
346.692
SMILES:
COc1cc(nc(n1)-c1ccc(NC(=O)CCl)cn1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: