BDBM50538712 CHEMBL4643700
SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(Br)c1
InChI Key: InChIKey=ODJZGQFXLXQHJA-UHFFFAOYSA-N
Data: 6 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)) | BDBM50538712 (CHEMBL4643700) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of human CA2 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay | ACS Med Chem Lett 11: 1000-1005 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50538712 (CHEMBL4643700) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of human CA7 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay | ACS Med Chem Lett 11: 1000-1005 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50538712 (CHEMBL4643700) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay | ACS Med Chem Lett 11: 1000-1005 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrases; II & IX (Homo sapiens (Human)) | BDBM50538712 (CHEMBL4643700) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of human CA9 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay | ACS Med Chem Lett 11: 1000-1005 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50538712 (CHEMBL4643700) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of human CA14 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay | ACS Med Chem Lett 11: 1000-1005 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase (Homo sapiens (Human)) | BDBM50538712 (CHEMBL4643700) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina Curated by ChEMBL | Assay Description Inhibition of human CA1 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay | ACS Med Chem Lett 11: 1000-1005 (2020) | |||||||||||
More data for this Ligand-Target Pair |