null

SMILES: Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=BDLSLORLEPSOGW-UHFFFAOYSA-N

PDB links: 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 116 hits for monomerid = 10870   

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 (Saccharomyces cerevisiae)	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay				Bioorg Med Chem 17: 1158-63 (2009) Article DOI: 10.1016/j.bmc.2008.12.035 BindingDB Entry DOI: 10.7270/Q2FB53WW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	164	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 human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1534-8 (2013) Article DOI: 10.1016/j.bmc.2012.07.024 BindingDB Entry DOI: 10.7270/Q2VQ3463
					More data for this Ligand-Target Pair
Carbonic anhydrase (Helicobacter pylori (strain G27))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	213	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 Helicobacter pylori recombinant CA				Bioorg Med Chem Lett 16: 2182-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.044 BindingDB Entry DOI: 10.7270/Q2HM598P
					More data for this Ligand-Target Pair
CARBONIC ANHYDRASE (Helicobacter pylori J99)	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 49: 2117-26 (2006) Article DOI: 10.1021/jm0512600 BindingDB Entry DOI: 10.7270/Q2ZS2TQB
					More data for this Ligand-Target Pair
Carbonic anhydrase (Stylophora pistillata)	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	333	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre Scientifique de Monaco Curated by ChEMBL					Assay Description Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 710-4 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2010.11.124 BindingDB Entry DOI: 10.7270/Q26D5T7K
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	690	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 recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 26: 1941-6 (2016) Article DOI: 10.1016/j.bmcl.2016.03.014 BindingDB Entry DOI: 10.7270/Q27946J2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse, CNR, Via Pietro Castellino 111, Napoli, Italy; Università degliStudi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico, Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem 25: 3555-3561 (2017) Article DOI: 10.1016/j.bmc.2017.05.007 BindingDB Entry DOI: 10.7270/Q20Z75PZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	690	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 human Carbonic anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 1115-20 (2016) Article DOI: 10.1016/j.bmc.2016.01.037 BindingDB Entry DOI: 10.7270/Q26W9CXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Recep Tayyip Erdogan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 26: 1821-6 (2016) Article DOI: 10.1016/j.bmcl.2016.02.032 BindingDB Entry DOI: 10.7270/Q2GM896M
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem Lett 27: 490-495 (2017) Article DOI: 10.1016/j.bmcl.2016.12.035 BindingDB Entry DOI: 10.7270/Q2PN97XS
					More data for this Ligand-Target Pair
Beta-carbonic anhydrase 1 (Mycobacterium tuberculosis)	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	905	-8.10	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
Carbonic anhydrase 2 (Mycobacterium tuberculosis)	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	978	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
Carbonic anhydrase (Candida albicans (Yeast))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.09E+3	-7.99	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 (Mycobacterium tuberculosis)	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10E+3	-7.38	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: 3116-20 (2009) Article DOI: 10.1021/jm9003126 BindingDB Entry DOI: 10.7270/Q28G8J2G
					More data for this Ligand-Target Pair
Delta carbonic anhydrase (Thalassiosira weissflogii)	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.24E+4	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 3 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.81E+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