BDBM50087262 5-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-ylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL161205
SMILES: NS(=O)(=O)c1nnc(NN2C(=O)c3cccnc3C2=O)s1
InChI Key: InChIKey=LZESFUBKTSVDDD-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)) | BDBM50087262 (5-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 8 | 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 cloned Carbonic anhydrase II | Bioorg Med Chem Lett 10: 673-6 (2000) BindingDB Entry DOI: 10.7270/Q2RV0P61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM50087262 (5-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 18 | 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 determined by esterase method | Bioorg Med Chem Lett 10: 673-6 (2000) BindingDB Entry DOI: 10.7270/Q2RV0P61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50087262 (5-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 39 | 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 cloned Carbonic anhydrase I | Bioorg Med Chem Lett 10: 673-6 (2000) BindingDB Entry DOI: 10.7270/Q2RV0P61 | |||||||||||
More data for this Ligand-Target Pair |