BDBM50300418 2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide::CHEMBL574809

SMILES: CC(C)(C)n1c(=O)cc(Cl)s1=O

InChI Key: InChIKey=XPUSAGLDGBTNOA-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 = 50300418   

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))	BDBM50300418 (2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide ...) Show SMILES CC(C)(C)n1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C7H10ClNO2S/c1-7(2,3)9-6(10)4-5(8)12(9)11/h4H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50300418 (2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide ...) Show SMILES CC(C)(C)n1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C7H10ClNO2S/c1-7(2,3)9-6(10)4-5(8)12(9)11/h4H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	171	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 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50300418 (2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide ...) Show SMILES CC(C)(C)n1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C7H10ClNO2S/c1-7(2,3)9-6(10)4-5(8)12(9)11/h4H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	454	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 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50300418 (2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide ...) Show SMILES CC(C)(C)n1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C7H10ClNO2S/c1-7(2,3)9-6(10)4-5(8)12(9)11/h4H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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 assessed as inhibitory constant preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 175: 40-48 (2019) Article DOI: 10.1016/j.ejmech.2019.04.072
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT2B (Homo sapiens (Human))	BDBM50300418 (2-Tert-butyl-5-chloroisothiazol-3(2H)-one 1-oxide ...) Show SMILES CC(C)(C)n1c(=O)cc(Cl)s1=O Show InChI InChI=1S/C7H10ClNO2S/c1-7(2,3)9-6(10)4-5(8)12(9)11/h4H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of human recombinant histone acetyltransferase PCAF assessed as CoA-SH activity preincubated for 15 mins by CPM fluorescent assay				Eur J Med Chem 44: 4855-61 (2009) Article DOI: 10.1016/j.ejmech.2009.07.025 BindingDB Entry DOI: 10.7270/Q2XD11RS
					More data for this Ligand-Target Pair