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Target
Beta-glucuronidase
Ligand
BDBM50129857
Substrate
n/a
Meas. Tech.
ChEMBL_1524126 (CHEMBL3631067)
IC50
29150±n/a nM
Citation
 Taha, M; Ismail, NH; Imran, S; Selvaraj, M; Rahim, A; Ali, M; Siddiqui, S; Rahim, F; Khan, KM Synthesis of novel benzohydrazone-oxadiazole hybrids asß-glucuronidase inhibitors and molecular modeling studies. Bioorg Med Chem 23:7394-404 (2015) [PubMed]  Article 
Target
Name:
Beta-glucuronidase
Synonyms:
Beta-glucuronidase | Beta-glucuronidase (β-glucuronidase) | EMBL:AAI33416.1 | Ensembl:ENSBTAP00000000941 | Ensembl:ENSBTAP00000000941} | GUSB
Type:
Protein
Mol. Mass.:
74467.69
Organism:
Bos taurus (Bovine)
Description:
EC 3.2.1.31, bovine liver
Residue:
652
Sequence:
MLRGSAGAWAVLGPLLWGCGLSLLQGGMLYPRESRSRERKELDGLWSFRADFSDNRRQGFEQQWYRAPLRESGPTLDMPVPSSFNDVGQDGQLRSFVGWVWYEREITLPQRWTEDLGTRVVLRIGSAHYYAIVWVNGVHVLEHEGGHLPFEADISKLVQSGPLSSCRITIAINNTLSPHTLPPGTILYKTDPSMYPKGYFVQNTKFDFFNYAGLHRSVLLYTTPTTYIDDITVTTDMDQDIGLVNYQIIVQGSDHFQVDVSLLDEEGKVMAKGAGAEGQLQVPSAHLWWPYLMHEHPAYLYSLEVKLTAQTAVGPVSDFYTLPVGIRTVAVTKSQFLINGKPFYFRGVNKHEDADIRGKGFDWPLLVKDFNLLRWLGANAFRTSHYPYSEEVLQLCDRYGIVVIDESPGVGIVLVESFSNVSLQHHLEVMEEMIRRDKNHPAVVMWSLANEPASFLKPAGYYFKTLIAHTKALDPSRPVTFVTNTNYEADLGAPYVDIICVNSYYSWYHDYGHMEVIQLQLATQFENWYKAYQKPMIQSEYGADAIEGFHEDPPLMFSEEYQKGLLQQYHVVLDQKRKEYVVGELIWNFADFMTNQSPVRMIGNRKGIFTRQRQPKSAAFLLRERYWKLANETRYQRSAVTSQCVGSGLFTV
  
Inhibitor
Name:
BDBM50129857
Synonyms:
CHEMBL3628910
Type:
Small organic molecule
Emp. Form.:
C22H16N4O5
Mol. Mass.:
416.3862
SMILES:
Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2O)cc1O
Structure:
Search PDB for entries with ligand similarity: