BDBM35726 sulfonamide deriv., 5a

SMILES: NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1

InChI Key: InChIKey=ZQWXOBLMDBJRLY-UHFFFAOYSA-N

Data: 14 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 35726   

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 7 (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 19: 3170-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.123 BindingDB Entry DOI: 10.7270/Q2TQ61V6
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 19: 3732-8 (2011) Article DOI: 10.1016/j.bmc.2011.05.006 BindingDB Entry DOI: 10.7270/Q2BG2PCH
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7	-11.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.20	-11.1	n/a	n/a	n/a	n/a	n/a	n/a	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 23: 5646-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.019 BindingDB Entry DOI: 10.7270/Q2KS6VH5
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 23: 5646-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.019 BindingDB Entry DOI: 10.7270/Q2KS6VH5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 19: 3732-8 (2011) Article DOI: 10.1016/j.bmc.2011.05.006 BindingDB Entry DOI: 10.7270/Q2BG2PCH
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	50	-9.95	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 19: 3170-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.123 BindingDB Entry DOI: 10.7270/Q2TQ61V6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	61	-9.84	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 19: 3170-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.123 BindingDB Entry DOI: 10.7270/Q2TQ61V6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 19: 3732-8 (2011) Article DOI: 10.1016/j.bmc.2011.05.006 BindingDB Entry DOI: 10.7270/Q2BG2PCH
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII) (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 19: 3732-8 (2011) Article DOI: 10.1016/j.bmc.2011.05.006 BindingDB Entry DOI: 10.7270/Q2BG2PCH
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM35726 (sulfonamide deriv., 5a) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 19: 3732-8 (2011) Article DOI: 10.1016/j.bmc.2011.05.006 BindingDB Entry DOI: 10.7270/Q2BG2PCH
					More data for this Ligand-Target Pair