BDBM50088762 CHEMBL13614::N,N-dialkylthio-carbonylsulfenylamino derivative

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1

InChI Key: InChIKey=UZRQKIJPXLTOGR-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 = 50088762   

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))	BDBM50088762 (CHEMBL13614 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1 Show InChI InChI=1S/C13H16N6O5S5/c14-28(20,21)12-16-15-11(26-12)18-29(22,23)10-3-1-9(2-4-10)17-27-13(25)19-5-7-24-8-6-19/h1-4,17H,5-8H2,(H,15,18)(H2,14,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.40	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))	BDBM50088762 (CHEMBL13614 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1 Show InChI InChI=1S/C13H16N6O5S5/c14-28(20,21)12-16-15-11(26-12)18-29(22,23)10-3-1-9(2-4-10)17-27-13(25)19-5-7-24-8-6-19/h1-4,17H,5-8H2,(H,15,18)(H2,14,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4	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))	BDBM50088762 (CHEMBL13614 | N,N-dialkylthio-carbonylsulfenylamin...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1 Show InChI InChI=1S/C13H16N6O5S5/c14-28(20,21)12-16-15-11(26-12)18-29(22,23)10-3-1-9(2-4-10)17-27-13(25)19-5-7-24-8-6-19/h1-4,17H,5-8H2,(H,15,18)(H2,14,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5	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