Reaction Details |
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Target | Heparanase |
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Ligand | BDBM50041457 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_950896 (CHEMBL2349720) |
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Kd | 52600±n/a nM |
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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 Chem21:1944-51 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Heparanase |
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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: | MLLRSKPALPPPLMLLLLGPLGPLSPGALPRPAQAQDVVDLDFFTQEPLHLVSPSFLSVT
IDANLATDPRFLILLGSPKLRTLARGLSPAYLRFGGTKTDFLIFDPKKESTFEERSYWQS
QVNQDICKYGSIPPDVEEKLRLEWPYQEQLLLREHYQKKFKNSTYSRSSVDVLYTFANCS
GLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKADIFINGS
QLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYL
NGRTATKEDFLNPDVLDIFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDTFA
AGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLVDENFDPLPDYWLSLLFKKLVGTKVLM
ASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLHNVTKYLRLPYPFSNKQVDKYLL
RPLGPHGLLSKSVQLNGLTLKMVDDQTLPPLMEKPLRPGSSLGLPAFSYSFFVIRNAKVA
ACI
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BDBM50041457 |
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n/a |
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Name | BDBM50041457 |
Synonyms: | 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol | AMODIAQUINE | CHEMBL682 | med.21724, Compound 188 |
Type | Small organic molecule |
Emp. Form. | C20H22ClN3O |
Mol. Mass. | 355.861 |
SMILES | CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O |
Structure |
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