Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 336.3 BDBM50117671

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50117671 (CHEMBL3613775) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	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 recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) Article DOI: 10.1016/j.ejmech.2015.07.049 BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50117671 (CHEMBL3613775) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) Article DOI: 10.1016/j.ejmech.2015.07.049 BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50117671 (CHEMBL3613775) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) Article DOI: 10.1016/j.ejmech.2015.07.049 BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50117671 (CHEMBL3613775) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	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 recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) Article DOI: 10.1016/j.ejmech.2015.07.049 BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50117671 (CHEMBL3613775) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	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 catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) Article DOI: 10.1016/j.ejmech.2015.07.049 BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Polymerase acidic protein (Influenza A virus (strain A/X-31 H3N2))	BDBM50117671 (CHEMBL3613775) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccc(O)c(O)c1 Show InChI InChI=1S/C15H16N2O5S/c16-23(21,22)12-4-2-11(3-5-12)15(20)17-8-7-10-1-6-13(18)14(19)9-10/h1-6,9,18-19H,7-8H2,(H,17,20)(H2,16,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Polo Universitario SS. Annunziata Curated by ChEMBL					Assay Description Inhibition of recombinant Influenza A virus (A/X-31(H3N2)) N-terminal 6xHis-tagged PA-Nter (1 to 217 residues) expressed in Escherichia coli BL21-Cod...				Bioorg Med Chem 26: 4544-4550 (2018) Article DOI: 10.1016/j.bmc.2018.07.046 BindingDB Entry DOI: 10.7270/Q2TM7DS6
					More data for this Ligand-Target Pair