BDBM23512 (3S)-4-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide::beta-sulfonyl hydroxamate analogue, 26
SMILES: CC#CCNc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO
InChI Key: InChIKey=YLRFPZVTHHHQAF-HNNXBMFYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM23512 ((3S)-4-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}-N...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research | Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc... | Bioorg Med Chem 15: 6170-81 (2007) Article DOI: 10.1016/j.bmc.2007.06.031 BindingDB Entry DOI: 10.7270/Q2FJ2F3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM23512 ((3S)-4-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}-N...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | 25 |
Wyeth Research | Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en... | Bioorg Med Chem 15: 6170-81 (2007) Article DOI: 10.1016/j.bmc.2007.06.031 BindingDB Entry DOI: 10.7270/Q2FJ2F3N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM23512 ((3S)-4-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}-N...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Wyeth Research | Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en... | Bioorg Med Chem 15: 6170-81 (2007) Article DOI: 10.1016/j.bmc.2007.06.031 BindingDB Entry DOI: 10.7270/Q2FJ2F3N | |||||||||||
More data for this Ligand-Target Pair |