BDBM50155546 CHEMBL445650::N-[4-({[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino}sulfonyl)phenyl]-2-(pentafluorophenyl)hydrazinecarbothioamide
SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1
InChI Key: InChIKey=XTLIGSXCHIJPDK-UHFFFAOYSA-N
Data: 3 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)) | BDBM50155546 (CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Binding affinity towards human cloned carbonic anhydrase II | Bioorg Med Chem Lett 14: 5775-80 (2004) Article DOI: 10.1016/j.bmcl.2004.09.062 BindingDB Entry DOI: 10.7270/Q2154HT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50155546 (CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Binding affinity towards human cloned carbonic anhydrase I | Bioorg Med Chem Lett 14: 5775-80 (2004) Article DOI: 10.1016/j.bmcl.2004.09.062 BindingDB Entry DOI: 10.7270/Q2154HT4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50155546 (CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Binding affinity towards human cloned carbonic anhydrase IX | Bioorg Med Chem Lett 14: 5775-80 (2004) Article DOI: 10.1016/j.bmcl.2004.09.062 BindingDB Entry DOI: 10.7270/Q2154HT4 | |||||||||||
More data for this Ligand-Target Pair |