BDBM50050844 CHEMBL3322441

SMILES: CC(=O)COC1=NS(=O)(=O)OC(C)=C1

InChI Key: InChIKey=XKYXBFJJUICKDX-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 = 50050844   

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))	BDBM50050844 (CHEMBL3322441) Show SMILES CC(=O)COC1=NS(=O)(=O)OC(C)=C1 |c:12,t:5| Show InChI InChI=1S/C7H9NO5S/c1-5(9)4-12-7-3-6(2)13-14(10,11)8-7/h3H,4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	157	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 1 (Homo sapiens (Human))	BDBM50050844 (CHEMBL3322441) Show SMILES CC(=O)COC1=NS(=O)(=O)OC(C)=C1 |c:12,t:5| Show InChI InChI=1S/C7H9NO5S/c1-5(9)4-12-7-3-6(2)13-14(10,11)8-7/h3H,4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.49E+3	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 9 (Homo sapiens (Human))	BDBM50050844 (CHEMBL3322441) Show SMILES CC(=O)COC1=NS(=O)(=O)OC(C)=C1 |c:12,t:5| Show InChI InChI=1S/C7H9NO5S/c1-5(9)4-12-7-3-6(2)13-14(10,11)8-7/h3H,4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 2 (Homo sapiens (Human))	BDBM50050844 (CHEMBL3322441) Show SMILES CC(=O)COC1=NS(=O)(=O)OC(C)=C1 |c:12,t:5| Show InChI InChI=1S/C7H9NO5S/c1-5(9)4-12-7-3-6(2)13-14(10,11)8-7/h3H,4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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