BDBM50041048 (4S,6R)-6-Ethyl-4-ethylamino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::CHEMBL9660

SMILES: CCN[C@H]1C[C@@H](CC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O

InChI Key: InChIKey=QJVMDMFIKVECCV-APPZFPTMSA-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 = 50041048   

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))	BDBM50041048 ((4S,6R)-6-Ethyl-4-ethylamino-7,7-dioxo-4,5,6,7-tet...) Show SMILES CCN[C@H]1C[C@@H](CC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C11H18N2O4S3/c1-3-7-5-9(13-4-2)8-6-10(20(12,16)17)18-11(8)19(7,14)15/h6-7,9,13H,3-5H2,1-2H3,(H2,12,16,17)/t7-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory constant towards Human Carbonic anhydrase II (HCA II)				J Med Chem 37: 1035-54 (1994) BindingDB Entry DOI: 10.7270/Q26Q1XWX
					More data for this Ligand-Target Pair				3D Structure (docked)