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SMILES: CCOc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=ULDIKWJEEXBIOV-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50386731   

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 14 (Homo sapiens (Human))	BDBM50386731 (CHEMBL2048934) Show SMILES CCOc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H21N3O5S2/c1-2-25-14-5-8-16-13(11-14)9-10-20(27(19,23)24)17(16)12-3-6-15(7-4-12)26(18,21)22/h3-8,11,17H,2,9-10H2,1H3,(H2,18,21,22)(H2,19,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA14-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50386731 (CHEMBL2048934) Show SMILES CCOc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H21N3O5S2/c1-2-25-14-5-8-16-13(11-14)9-10-20(27(19,23)24)17(16)12-3-6-15(7-4-12)26(18,21)22/h3-8,11,17H,2,9-10H2,1H3,(H2,18,21,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA7-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50386731 (CHEMBL2048934) Show SMILES CCOc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H21N3O5S2/c1-2-25-14-5-8-16-13(11-14)9-10-20(27(19,23)24)17(16)12-3-6-15(7-4-12)26(18,21)22/h3-8,11,17H,2,9-10H2,1H3,(H2,18,21,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50386731 (CHEMBL2048934) Show SMILES CCOc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H21N3O5S2/c1-2-25-14-5-8-16-13(11-14)9-10-20(27(19,23)24)17(16)12-3-6-15(7-4-12)26(18,21)22/h3-8,11,17H,2,9-10H2,1H3,(H2,18,21,22)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50386731 (CHEMBL2048934) Show SMILES CCOc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H21N3O5S2/c1-2-25-14-5-8-16-13(11-14)9-10-20(27(19,23)24)17(16)12-3-6-15(7-4-12)26(18,21)22/h3-8,11,17H,2,9-10H2,1H3,(H2,18,21,22)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length CA1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				J Med Chem 55: 3891-9 (2012) Article DOI: 10.1021/jm300112w BindingDB Entry DOI: 10.7270/Q20G3M6Q
					More data for this Ligand-Target Pair