PDB code 3B92
Identical Ligands in BindingDB
Found 2 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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
(257/259 > 99%)† (Homo sapiens (Human)) | BDBM26554
(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)Show InChI InChI=1S/C13H16O3S2/c1-2-3-9-16-12-5-7-13(8-6-12)18(14,15)11-4-10-17/h5-8,17H,4,9-11H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank MMDB PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description Inhibition of TACE |
Bioorg Med Chem 16: 8781-94 (2008)
Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17 [215-477,S266A,N452Q]
(259/259 = 100%)† (Homo sapiens (Human)) | BDBM26554
(3-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}propane-1...)Show InChI InChI=1S/C13H16O3S2/c1-2-3-9-16-12-5-7-13(8-6-12)18(14,15)11-4-10-17/h5-8,17H,4,9-11H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 10 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Vertex Pharmaceuticals
| Assay Description The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep... |
Bioorg Med Chem Lett 18: 44-8 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.014 BindingDB Entry DOI: 10.7270/Q2930RH8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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Search BindingMOAD for More Affinity Data:
* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output