BDBM50041045 (4S,6S)-4-Ethylamino-7,7-dioxo-6-propyl-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::CHEMBL273599

SMILES: CCC[C@H]1C[C@H](NCC)c2cc(sc2S1(=O)=O)S(N)(=O)=O

InChI Key: InChIKey=BGHZCMPGDRVLBO-WPRPVWTQSA-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 = 50041045   

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))	BDBM50041045 ((4S,6S)-4-Ethylamino-7,7-dioxo-6-propyl-4,5,6,7-te...) Show SMILES CCC[C@H]1C[C@H](NCC)c2cc(sc2S1(=O)=O)S(N)(=O)=O Show InChI InChI=1S/C12H20N2O4S3/c1-3-5-8-6-10(14-4-2)9-7-11(21(13,17)18)19-12(9)20(8,15)16/h7-8,10,14H,3-6H2,1-2H3,(H2,13,17,18)/t8-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	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)