BDBM50165745 CHEMBL382111::N-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-acetamide
SMILES: CC(=O)Nc1nnc(S)s1
InChI Key: InChIKey=DWSMAMSVZRCQMP-UHFFFAOYSA-N
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 |
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Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50165745 (CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bucharest Curated by ChEMBL | Assay Description Inhibitory constant against human Carbonic anhydrase I | Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50165745 (CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bucharest Curated by ChEMBL | Assay Description Inhibitory constant against human Carbonic anhydrase II | Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50165745 (CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bucharest Curated by ChEMBL | Assay Description Inhibitory constant against human Carbonic anhydrase IX | Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus)) | BDBM50165745 (CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 7.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee Curated by ChEMBL | Assay Description Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins | Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |