BDBM50088759 CHEMBL13410::N,N-dialkylthio-carbonylsulfenylamino derivative

SMILES: NS(=O)(=O)c1cc(c(NSC(=S)N2CCOCC2)cc1Cl)S(N)(=O)=O

InChI Key: InChIKey=IGUSPASPSULBFG-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 = 50088759   

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))	BDBM50088759 (CHEMBL13410 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES NS(=O)(=O)c1cc(c(NSC(=S)N2CCOCC2)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C11H15ClN4O5S4/c12-7-5-8(15-23-11(22)16-1-3-21-4-2-16)10(25(14,19)20)6-9(7)24(13,17)18/h5-6,15H,1-4H2,(H2,13,17,18)(H2,14,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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))	BDBM50088759 (CHEMBL13410 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES NS(=O)(=O)c1cc(c(NSC(=S)N2CCOCC2)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C11H15ClN4O5S4/c12-7-5-8(15-23-11(22)16-1-3-21-4-2-16)10(25(14,19)20)6-9(7)24(13,17)18/h5-6,15H,1-4H2,(H2,13,17,18)(H2,14,19,20)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	90	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))	BDBM50088759 (CHEMBL13410 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES NS(=O)(=O)c1cc(c(NSC(=S)N2CCOCC2)cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C11H15ClN4O5S4/c12-7-5-8(15-23-11(22)16-1-3-21-4-2-16)10(25(14,19)20)6-9(7)24(13,17)18/h5-6,15H,1-4H2,(H2,13,17,18)(H2,14,19,20)	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	560	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