BDBM29277 CHEMBL451332::sulfonamide, 3

SMILES: NS(=O)(=O)c1ccc(CCC(O)=O)cc1

InChI Key: InChIKey=JUEONDBIBADVGD-UHFFFAOYSA-N

Data: 17 KI

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.

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 17 hits for monomerid = 29277   

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)	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	165	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
Alpha carbonic anhydrase (Stylophora pistillata)	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MC-98000 Princ Curated by ChEMBL					Assay Description Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay				Bioorg Med Chem 17: 5054-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.063 BindingDB Entry DOI: 10.7270/Q2FJ2HQJ
					More data for this Ligand-Target Pair
Alpha carbonic anhydrase (Stylophora pistillata)	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	256	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 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 (Stylophora pistillata)	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	294	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 2 (Can2) (Cryptococcus neoformans var. grubii (Filobasidiell...)	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 2 (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	495	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MC-98000 Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped-flow CO2 assay				Bioorg Med Chem 17: 5054-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.063 BindingDB Entry DOI: 10.7270/Q2FJ2HQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	495	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 human recombinant CA2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	495	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 human recombinant CA2 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				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	495	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Union Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method				J Med Chem 55: 3513-20 (2012) Article DOI: 10.1021/jm300203r BindingDB Entry DOI: 10.7270/Q2RX9D4X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	495	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 CA2 by stopped-flow 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				3D Structure (crystal)
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.28E+3	-7.90	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 1 (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.69E+3	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 human recombinant CA1 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				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.69E+3	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 human recombinant CA1 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				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.69E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MC-98000 Princ Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 by stopped-flow CO2 assay				Bioorg Med Chem 17: 5054-8 (2009) Article DOI: 10.1016/j.bmc.2009.05.063 BindingDB Entry DOI: 10.7270/Q2FJ2HQJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic Anhydrase (mtCA 3) (Mycobacterium tuberculosis)	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.83E+3	-6.84	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
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis)	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.93E+3	-6.84	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
β-Carbonic anhydrase 2 (CA 2) (Mycobacterium tuberculosis)	BDBM29277 (CHEMBL451332 | sulfonamide, 3) Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.84E+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 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