BDBM50308986 2,4-Dichloro-5-sulphamoylbenzoate (2)::CHEMBL590825::pyridin-2-ylmethanaminium 2,4-dichloro-5-sulfamoylbenzoate

SMILES: NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl

InChI Key: InChIKey=ZSHHRBYVHTVRFK-UHFFFAOYSA-M

Data: 18 IC50

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 18 hits for monomerid = 50308986   

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 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al....				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes CA2 by Lineweaver-Burke analysis				Bioorg Med Chem 18: 930-8 (2010) Article DOI: 10.1016/j.bmc.2009.11.031 BindingDB Entry DOI: 10.7270/Q2FQ9XK3
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al....				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al....				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.4	n/a
Dumlupinar University					Assay Description The carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of the 4-nitrophenylacetate (NPA) to the 4-nitrophenylate...				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	7.4	n/a
Dumlupinar University					Assay Description The carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of the 4-nitrophenylacetate (NPA) to the 4-nitrophenylate...				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.4	n/a
Dumlupinar University					Assay Description The carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of the 4-nitrophenylacetate (NPA) to the 4-nitrophenylate...				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	n/a
Dumlupinar University					Assay Description The carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of the 4-nitrophenylacetate (NPA) to the 4-nitrophenylate...				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of the Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. ...				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of the Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. ...				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of the Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. ...				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of the Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. ...				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of hydratase-activity of CA1 from human erythrocytes by CO2-hydration method				Bioorg Med Chem 18: 930-8 (2010) Article DOI: 10.1016/j.bmc.2009.11.031 BindingDB Entry DOI: 10.7270/Q2FQ9XK3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of hydratase-activity of human erythrocytes CA2 by CO2-hydration method				Bioorg Med Chem 18: 930-8 (2010) Article DOI: 10.1016/j.bmc.2009.11.031 BindingDB Entry DOI: 10.7270/Q2FQ9XK3
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase-activity of CA1 from human erythrocytes by spectrophotometry				Bioorg Med Chem 18: 930-8 (2010) Article DOI: 10.1016/j.bmc.2009.11.031 BindingDB Entry DOI: 10.7270/Q2FQ9XK3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase-activity of human erythrocytes CA2 by spectrophotometry				Bioorg Med Chem 18: 930-8 (2010) Article DOI: 10.1016/j.bmc.2009.11.031 BindingDB Entry DOI: 10.7270/Q2FQ9XK3
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of CA1 from human erythrocytes by Lineweaver-Burke analysis				Bioorg Med Chem 18: 930-8 (2010) Article DOI: 10.1016/j.bmc.2009.11.031 BindingDB Entry DOI: 10.7270/Q2FQ9XK3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50308986 (2,4-Dichloro-5-sulphamoylbenzoate (2) | CHEMBL5908...) Show SMILES NS(=O)(=O)c1cc(C([O-])=O)c(Cl)cc1Cl Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al....				J Enzyme Inhib Med Chem 26: 104-14 (2011) Article DOI: 10.3109/14756361003733639 BindingDB Entry DOI: 10.7270/Q2PC318R
					More data for this Ligand-Target Pair