BindingDB PrimarySearch

null

SMILES: NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl

InChI Key: InChIKey=JZUFKLXOESDKRF-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 66 hits for monomerid = 13076
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Albumin (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Discovery Ltd. Curated by ChEMBL					Assay Description Binding affinity towards human serum albumin				J Med Chem 48: 2469-79 (2005) Article DOI: 10.1021/jm049227l BindingDB Entry DOI: 10.7270/Q2125WDN
Molecular Discovery Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	3.66E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Mus musculus (mouse))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Delta carbonic anhydrase (Thalassiosira weissflogii)	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.27E+3	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
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Rattus norvegicus)	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of PAH uptake in Xenopus laevis oocytes				J Pharmacol Exp Ther 295: 261-5 (2000) BindingDB Entry DOI: 10.7270/Q2W66N2S
Kyoto University Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	>2.00E+5	>-5.04	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
Universita degli Studi di Firenze					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2J2 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	7.4	25
University of Marburg					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 45: 3588-602 (2002) Article DOI: 10.1021/jm011112j BindingDB Entry DOI: 10.7270/Q2RJ4GQP
University of Marburg					More data for this Ligand-Target Pair				3D Structure (docked)
Bile salt export pump (Homo sapiens (Human))	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM13076 (6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...) Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	>1.95E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair

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