null

SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=TXQNFGSNONKCOR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 16663   

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))	BDBM16663 (N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12(20)19-14-4-8-16(9-5-14)26(23,24)18-11-10-13-2-6-15(7-3-13)25(17,21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 5A, mitochondrial (Mus musculus (mouse))	BDBM16663 (N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12(20)19-14-4-8-16(9-5-14)26(23,24)18-11-10-13-2-6-15(7-3-13)25(17,21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	103	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 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Bos taurus (bovine))	BDBM16663 (N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12(20)19-14-4-8-16(9-5-14)26(23,24)18-11-10-13-2-6-15(7-3-13)25(17,21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,17,21,22)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM16663 (N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl...) Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H19N3O5S2/c1-12(20)19-14-4-8-16(9-5-14)26(23,24)18-11-10-13-2-6-15(7-3-13)25(17,21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair