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Target
Heparanase
Ligand
BDBM50431657
Substrate
n/a
Meas. Tech.
ChEMBL_950897 (CHEMBL2349721)
IC50
8000±n/a nM
Citation
 Gozalbes, R; Mosulén, S; Ortí, L; Rodríguez-Díaz, J; Carbajo, RJ; Melnyk, P; Pineda-Lucena, A Hit identification of novel heparanase inhibitors by structure- and ligand-based approaches. Bioorg Med Chem 21:1944-51 (2013) [PubMed]  Article 
Target
Name:
Heparanase
Synonyms:
Endo-glucoronidase | HEP | HPA | HPA1 | HPR1 | HPSE | HPSE1 | HPSE_HUMAN | HSE1 | Heparanase 50 kDa subunit | Heparanase 8 kDa subunit | Heparanase-1
Type:
PROTEIN
Mol. Mass.:
61167.67
Organism:
Homo sapiens (Human)
Description:
ChEMBL_327900
Residue:
543
Sequence:
MLLRSKPALPPPLMLLLLGPLGPLSPGALPRPAQAQDVVDLDFFTQEPLHLVSPSFLSVTIDANLATDPRFLILLGSPKLRTLARGLSPAYLRFGGTKTDFLIFDPKKESTFEERSYWQSQVNQDICKYGSIPPDVEEKLRLEWPYQEQLLLREHYQKKFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKADIFINGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATKEDFLNPDVLDIFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDTFAAGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLVDENFDPLPDYWLSLLFKKLVGTKVLMASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLHNVTKYLRLPYPFSNKQVDKYLLRPLGPHGLLSKSVQLNGLTLKMVDDQTLPPLMEKPLRPGSSLGLPAFSYSFFVIRNAKVAACI
  
Inhibitor
Name:
BDBM50431657
Synonyms:
CHEMBL2349242
Type:
Small organic molecule
Emp. Form.:
C30H27Br2N3O4S2
Mol. Mass.:
717.491
SMILES:
OC(CN(CCc1ccccc1)C(=S)Nc1ccc(cc1)S(O)(=O)=O)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
Structure:
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