Reaction Details Report a problem with these data
Target
Carbonic anhydrase 1
Ligand
BDBM50296250
Substrate
n/a
Meas. Tech.
ChEMBL_579710 (CHEMBL1053951)
IC50
78±n/a nM
Citation
 Parkkila, S; Innocenti, A; Kallio, H; Hilvo, M; Scozzafava, A; Supuran, CT The protein tyrosine kinase inhibitors imatinib and nilotinib strongly inhibit several mammalian alpha-carbonic anhydrase isoforms. Bioorg Med Chem Lett 19:4102-6 (2009) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 1
Synonyms:
CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA
Type:
Enzyme
Mol. Mass.:
28873.37
Organism:
Homo sapiens (Human)
Description:
P00915
Residue:
261
Sequence:
MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
  
Inhibitor
Name:
BDBM50296250
Synonyms:
(S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-methoxyphenyl)acrylate | CHEMBL560175
Type:
Small organic molecule
Emp. Form.:
C15H20O5
Mol. Mass.:
280.3163
SMILES:
COc1cc(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C |r|
Structure:
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