Reaction Details |
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Target | Heparanase |
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Ligand | BDBM50412099 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_531583 (CHEMBL990587) |
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IC50 | 346.74±n/a nM |
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Citation | Jalali-Heravi, M; Asadollahi-Baboli, M; Shahbazikhah, P QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg-Marquardt algorithm. Eur J Med Chem43:548-56 (2008) [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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BDBM50412099 |
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n/a |
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Name | BDBM50412099 |
Synonyms: | CHEMBL522358 |
Type | Small organic molecule |
Emp. Form. | C24H15F3N2O4 |
Mol. Mass. | 452.3821 |
SMILES | OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(F)cc2F)c(F)c1 |
Structure |
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