BDBM12152 2-carboxymethylbenzenesulfonamide 5::CHEMBL148680::methyl 2-sulfamoylbenzoate

SMILES: COC(=O)c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=VSOOBQALJVLTBH-UHFFFAOYSA-N

Data: 3 KI  2 IC50

PDB links: 8 PDB IDs contain this monomer as substructures. 9 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 5 hits for monomerid = 12152   

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 2 (Homo sapiens (Human))	BDBM12152 (2-carboxymethylbenzenesulfonamide 5 | CHEMBL148680...) Show SMILES COC(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	420	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...				J Med Chem 48: 2121-5 (2005) Article DOI: 10.1021/jm0494826 BindingDB Entry DOI: 10.7270/Q25X275C
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM12152 (2-carboxymethylbenzenesulfonamide 5 | CHEMBL148680...) Show SMILES COC(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)	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 Patents	Article PubMed	680	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...				J Med Chem 48: 2121-5 (2005) Article DOI: 10.1021/jm0494826 BindingDB Entry DOI: 10.7270/Q25X275C
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12152 (2-carboxymethylbenzenesulfonamide 5 | CHEMBL148680...) Show SMILES COC(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)	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 Patents	Article PubMed	3.58E+4	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...				J Med Chem 48: 2121-5 (2005) Article DOI: 10.1021/jm0494826 BindingDB Entry DOI: 10.7270/Q25X275C
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM12152 (2-carboxymethylbenzenesulfonamide 5 | CHEMBL148680...) Show SMILES COC(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase				Bioorg Med Chem Lett 14: 5703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.07.085 BindingDB Entry DOI: 10.7270/Q23N22VW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12152 (2-carboxymethylbenzenesulfonamide 5 | CHEMBL148680...) Show SMILES COC(=O)c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C8H9NO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase				Bioorg Med Chem Lett 14: 5703-7 (2004) Article DOI: 10.1016/j.bmcl.2004.07.085 BindingDB Entry DOI: 10.7270/Q23N22VW
					More data for this Ligand-Target Pair