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Target
Heparanase
Ligand
BDBM50165660
Substrate
n/a
Meas. Tech.
ChEMBL_950897 (CHEMBL2349721)
IC50
200±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
More Info.:
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:
BDBM50165660
Synonyms:
2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(propylamino)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid | 2-{3-[5-(4-Chloro-phenyl)-benzooxazol-2-yl]-4-propylamino-phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid | CHEMBL193906
Type:
Small organic molecule
Emp. Form.:
C31H22ClN3O5
Mol. Mass.:
551.976
SMILES:
CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O