BDBM50088757 4-({[(morpholin-4-ylcarbonothioyl)thio]amino}methyl)benzenesulfonamide::CHEMBL266157::N,N-dialkylthio-carbonylsulfenylamino derivative
SMILES: NS(=O)(=O)c1ccc(CNSC(=S)N2CCOCC2)cc1
InChI Key: InChIKey=MPKKJVTWOUWCLQ-UHFFFAOYSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50088757 (4-({[(morpholin-4-ylcarbonothioyl)thio]amino}methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase II (hCA II) | Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM50088757 (4-({[(morpholin-4-ylcarbonothioyl)thio]amino}methy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi Curated by ChEMBL | Assay Description Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes | Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50088757 (4-({[(morpholin-4-ylcarbonothioyl)thio]amino}methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi Curated by ChEMBL | Assay Description Binding affinity of compound against human Carbonic anhydrase II | Bioorg Med Chem Lett 10: 1887-91 (2000) BindingDB Entry DOI: 10.7270/Q27S7N1P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50088757 (4-({[(morpholin-4-ylcarbonothioyl)thio]amino}methy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase I (CAI) | Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M | |||||||||||
More data for this Ligand-Target Pair |