BDBM50088768 CHEMBL418164::N,N-dialkylthio-carbonylsulfenylamino derivative

SMILES: NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Br)c1

InChI Key: InChIKey=YTSBPLDWEZQGRY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50088768   

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))	BDBM50088768 (CHEMBL418164 | N,N-dialkylthio-carbonylsulfenylami...) Show SMILES NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C11H14BrN3O3S3/c12-9-7-8(21(13,16)17)1-2-10(9)14-20-11(19)15-3-5-18-6-4-15/h1-2,7,14H,3-6H2,(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50088768 (CHEMBL418164 | N,N-dialkylthio-carbonylsulfenylami...) Show SMILES NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C11H14BrN3O3S3/c12-9-7-8(21(13,16)17)1-2-10(9)14-20-11(19)15-3-5-18-6-4-15/h1-2,7,14H,3-6H2,(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50088768 (CHEMBL418164 | N,N-dialkylthio-carbonylsulfenylami...) Show SMILES NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)c(Br)c1 Show InChI InChI=1S/C11H14BrN3O3S3/c12-9-7-8(21(13,16)17)1-2-10(9)14-20-11(19)15-3-5-18-6-4-15/h1-2,7,14H,3-6H2,(H2,13,16,17)	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase I (CAI)				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
					More data for this Ligand-Target Pair