BDBM50386721 CHEMBL2048923

SMILES: CCCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1

InChI Key: InChIKey=JQKUUTIDLBKUHH-UHFFFAOYSA-N

Data: 5 KI

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 = 50386721   

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))	BDBM50386721 (CHEMBL2048923) Show SMILES CCCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C18H22N2O4S/c1-2-12-24-16-5-3-4-14(13-16)10-11-20-18(21)15-6-8-17(9-7-15)25(19,22)23/h3-9,13H,2,10-12H2,1H3,(H,20,21)(H2,19,22,23)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	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 7 (Homo sapiens (Human))	BDBM50386721 (CHEMBL2048923) Show SMILES CCCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C18H22N2O4S/c1-2-12-24-16-5-3-4-14(13-16)10-11-20-18(21)15-6-8-17(9-7-15)25(19,22)23/h3-9,13H,2,10-12H2,1H3,(H,20,21)(H2,19,22,23)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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 9 (Homo sapiens (Human))	BDBM50386721 (CHEMBL2048923) Show SMILES CCCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C18H22N2O4S/c1-2-12-24-16-5-3-4-14(13-16)10-11-20-18(21)15-6-8-17(9-7-15)25(19,22)23/h3-9,13H,2,10-12H2,1H3,(H,20,21)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	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))	BDBM50386721 (CHEMBL2048923) Show SMILES CCCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C18H22N2O4S/c1-2-12-24-16-5-3-4-14(13-16)10-11-20-18(21)15-6-8-17(9-7-15)25(19,22)23/h3-9,13H,2,10-12H2,1H3,(H,20,21)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.4	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
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50386721 (CHEMBL2048923) Show SMILES CCCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C18H22N2O4S/c1-2-12-24-16-5-3-4-14(13-16)10-11-20-18(21)15-6-8-17(9-7-15)25(19,22)23/h3-9,13H,2,10-12H2,1H3,(H,20,21)(H2,19,22,23)	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	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