Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50111603
Substrate
n/a
Meas. Tech.
ChEMBL_215908 (CHEMBL818874)
IC50
10000±n/a nM
Citation
 McGovern, SL; Caselli, E; Grigorieff, N; Shoichet, BK A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem 45:1712-22 (2002) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_ECOLI | Beta-lactamase | Beta-lactamase (AmpC) | Beta-lactamase AmpC | Cephalosporinase | Escherichia coli K-12 | ampA | ampC
Type:
Protien
Mol. Mass.:
41561.62
Organism:
Escherichia coli
Description:
P00811
Residue:
377
Sequence:
MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ
  
Inhibitor
Name:
BDBM50111603
Synonyms:
3-(4-(dimethylamino)benzylidene)indolin-2-one | 3-(4-Dimethylamino-benzylidene)-1,3-dihydro-indol-2-one | 3-[1-(4-Dimethylamino-phenyl)-meth-(E)-ylidene]-1,3-dihydro-indol-2-one | CHEMBL296455 | SU-4312 | US11111252, Compound DMBI | US9422297, DMBI
Type:
Small organic molecule
Emp. Form.:
C17H16N2O
Mol. Mass.:
264.3217
SMILES:
CN(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Structure:
Search PDB for entries with ligand similarity: