BDBM50078571 (R)-2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-benzenesulfonyl)-amino]-4-benzylsulfanyl-N-hydroxy-butyramide::CHEMBL47468
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)[C@H](CCSCc1ccccc1)C(=O)NO
InChI Key: InChIKey=WHTRIFCXCJYQKX-SSEXGKCCSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Collagenase 3 (Homo sapiens (Human)) | BDBM50078571 ((R)-2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-13 | Bioorg Med Chem Lett 9: 1691-6 (1999) BindingDB Entry DOI: 10.7270/Q20002K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50078571 ((R)-2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-3 | Bioorg Med Chem Lett 9: 1691-6 (1999) BindingDB Entry DOI: 10.7270/Q20002K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 9 (Mus musculus) | BDBM50078571 ((R)-2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-...) | Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Inhibitory concentration required against matrix metalloprotease-9 (MMP-9 gelatinase B) | Bioorg Med Chem Lett 9: 1691-6 (1999) BindingDB Entry DOI: 10.7270/Q20002K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-2 (Mus musculus) | BDBM50078571 ((R)-2-[[(Benzhydryl-carbamoyl)-methyl]-(4-methoxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-2 | Bioorg Med Chem Lett 9: 1691-6 (1999) BindingDB Entry DOI: 10.7270/Q20002K2 | |||||||||||
More data for this Ligand-Target Pair |