BDBM50117674 CHEMBL3613781

SMILES: COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=QJELURSUJAZKKO-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 = 50117674   

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))	BDBM50117674 (CHEMBL3613781) Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50117674 (CHEMBL3613781) Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50117674 (CHEMBL3613781) Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human catalytic domain of carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50117674 (CHEMBL3613781) Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50117674 (CHEMBL3613781) Show SMILES COc1ccc2N(CCCc2c1)C(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H18N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h4-9,11H,2-3,10H2,1H3,(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant full length carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 102: 223-32 (2015) BindingDB Entry DOI: 10.7270/Q29888T8
					More data for this Ligand-Target Pair