BDBM50017726 4-Butylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide; hydrochloride::CHEMBL554854

SMILES: CCCCNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O

InChI Key: InChIKey=DTFBMRMDPHSOFW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50017726   

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))	BDBM50017726 (4-Butylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*...) Show SMILES CCCCNC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C11H18N2O4S3/c1-2-3-5-13-9-4-6-19(14,15)11-8(9)7-10(18-11)20(12,16)17/h7,9,13H,2-6H2,1H3,(H2,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair				3D Structure (docked)