BDBM50146673 CHEMBL3764506

SMILES: COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=GUHMJKPMFNHUCM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50146673   

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))	BDBM50146673 (CHEMBL3764506) Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50146673 (CHEMBL3764506) Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50146673 (CHEMBL3764506) Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50146673 (CHEMBL3764506) Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H17NO5S/c1-19-13-8-11(9-14(20-2)15(13)21-3)10-4-6-12(7-5-10)22(16,17)18/h4-9H,1-3H3,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair