BDBM11636 CHEMBL309431::N-[2-(diethylamino)ethyl]-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide::Sulfonamide 3
SMILES: CCN(CC)CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
InChI Key: InChIKey=NZUFHNXGURICPD-UHFFFAOYSA-N
Data: 8 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)) | BDBM11636 (CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40 | -11.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | J Med Chem 48: 5721-7 (2005) Article DOI: 10.1021/jm050333c BindingDB Entry DOI: 10.7270/Q2ST7N2F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11636 (CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi Curated by ChEMBL | Assay Description Inhibitory activity against human carbonic anhydrase II | Bioorg Med Chem Lett 13: 2867-73 (2003) BindingDB Entry DOI: 10.7270/Q2BR8SQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11636 (CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bruker-AXS s.r.l. Curated by ChEMBL | Assay Description Inhibitory activity of compound against human carbonic anhydrase II | Bioorg Med Chem Lett 14: 2357-61 (2004) Article DOI: 10.1016/j.bmcl.2004.01.096 BindingDB Entry DOI: 10.7270/Q2639P6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM11636 (CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bruker-AXS s.r.l. Curated by ChEMBL | Assay Description Inhibitory activity of compound against bovine carbonic anhydrase IV | Bioorg Med Chem Lett 14: 2357-61 (2004) Article DOI: 10.1016/j.bmcl.2004.01.096 BindingDB Entry DOI: 10.7270/Q2639P6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM11636 (CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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 Inhibitory activity against Carbonic anhydrase IV isolated from bovine lung | Bioorg Med Chem Lett 13: 2867-73 (2003) BindingDB Entry DOI: 10.7270/Q2BR8SQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11636 (CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...) | 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 | 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 Inhibitory activity against human carbonic anhydrase I (hCA I) | Bioorg Med Chem Lett 13: 2867-73 (2003) BindingDB Entry DOI: 10.7270/Q2BR8SQ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11636 (CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bruker-AXS s.r.l. Curated by ChEMBL | Assay Description Inhibitory activity of compound against human carbonic anhydrase I | Bioorg Med Chem Lett 14: 2357-61 (2004) Article DOI: 10.1016/j.bmcl.2004.01.096 BindingDB Entry DOI: 10.7270/Q2639P6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM11636 (CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...) | 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 | 16 | -10.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Istituto di Biostrutture e Bioimmagini-CNR | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | J Med Chem 48: 5721-7 (2005) Article DOI: 10.1021/jm050333c BindingDB Entry DOI: 10.7270/Q2ST7N2F | |||||||||||
More data for this Ligand-Target Pair |