BDBM50050782 CHEMBL3322453

SMILES: CC1=CC(=O)N(Cc2c(F)cccc2F)S(=O)(=O)O1

InChI Key: InChIKey=BPKVXAKFVAFVAU-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 = 50050782   

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 12 (Homo sapiens (Human))	BDBM50050782 (CHEMBL3322453) Show SMILES CC1=CC(=O)N(Cc2c(F)cccc2F)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H9F2NO4S/c1-7-5-11(15)14(19(16,17)18-7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 by stopped flow CO2 hydration method				Eur J Med Chem 84: 240-6 (2014) Article DOI: 10.1016/j.ejmech.2014.07.014 BindingDB Entry DOI: 10.7270/Q2BR8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50050782 (CHEMBL3322453) Show SMILES CC1=CC(=O)N(Cc2c(F)cccc2F)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H9F2NO4S/c1-7-5-11(15)14(19(16,17)18-7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 by stopped flow CO2 hydration method				Eur J Med Chem 84: 240-6 (2014) Article DOI: 10.1016/j.ejmech.2014.07.014 BindingDB Entry DOI: 10.7270/Q2BR8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50050782 (CHEMBL3322453) Show SMILES CC1=CC(=O)N(Cc2c(F)cccc2F)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H9F2NO4S/c1-7-5-11(15)14(19(16,17)18-7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method				Eur J Med Chem 84: 240-6 (2014) Article DOI: 10.1016/j.ejmech.2014.07.014 BindingDB Entry DOI: 10.7270/Q2BR8TT1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50050782 (CHEMBL3322453) Show SMILES CC1=CC(=O)N(Cc2c(F)cccc2F)S(=O)(=O)O1 |t:1| Show InChI InChI=1S/C11H9F2NO4S/c1-7-5-11(15)14(19(16,17)18-7)6-8-9(12)3-2-4-10(8)13/h2-5H,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method				Eur J Med Chem 84: 240-6 (2014) Article DOI: 10.1016/j.ejmech.2014.07.014 BindingDB Entry DOI: 10.7270/Q2BR8TT1
					More data for this Ligand-Target Pair