null

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1

InChI Key: InChIKey=PWDGTQXZLNDOKS-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 108 hits for monomerid = 10886   

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
Delta carbonic anhydrase (Thalassiosira weissflogii)	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	394	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 24: 275-9 (2013) Article DOI: 10.1016/j.bmcl.2013.11.021 BindingDB Entry DOI: 10.7270/Q2TM7CK3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	460	-8.64	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	467	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 6649-54 (2009) Article DOI: 10.1016/j.bmcl.2009.10.009 BindingDB Entry DOI: 10.7270/Q27W6D4S
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	810	-8.17	n/a	n/a	n/a	n/a	n/a	8.3	20
Kochi Medical School					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 52: 2226-32 (2009) Article DOI: 10.1021/jm9000488 BindingDB Entry DOI: 10.7270/Q24Q7SBR
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	810	-8.30	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Carbonic anhydrase (Candida albicans (Yeast))	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.51E+3	-7.80	n/a	n/a	n/a	n/a	n/a	8.3	20
Universite degli Studi di Firenze					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...				Bioorg Med Chem 17: 4503-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.002 BindingDB Entry DOI: 10.7270/Q24X564B
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School Curated by ChEMBL					Assay Description Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay				Bioorg Med Chem 15: 7229-36 (2007) Article DOI: 10.1016/j.bmc.2007.08.037 BindingDB Entry DOI: 10.7270/Q2TH8NJ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+5	-5.25	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					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...				Bioorg Med Chem Lett 18: 2567-73 (2008) Article DOI: 10.1016/j.bmcl.2008.03.051 BindingDB Entry DOI: 10.7270/Q23N21P7
					More data for this Ligand-Target Pair