BDBM11411 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 18::3-(morpholin-4-ylmethyl)-1,1-dioxo-2-(prop-2-en-1-yl)-2H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::3-[(4-Morpholinyl)methyl]-2-(2-propenyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide::Compound 17e1

SMILES: NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC=C)S(=O)(=O)c2s1

InChI Key: InChIKey=KDCJIHNQDVKCTE-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 = 11411   

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))	BDBM11411 (2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...) Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC=C)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C14H19N3O5S3/c1-2-3-17-12(10-16-4-6-22-7-5-16)8-11-9-13(24(15,18)19)23-14(11)25(17,20)21/h2,8-9H,1,3-7,10H2,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM11411 (2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...) Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC=C)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C14H19N3O5S3/c1-2-3-17-12(10-16-4-6-22-7-5-16)8-11-9-13(24(15,18)19)23-14(11)25(17,20)21/h2,8-9H,1,3-7,10H2,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.3	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11411 (2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...) Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC=C)S(=O)(=O)c2s1 |t:7| Show InChI InChI=1S/C14H19N3O5S3/c1-2-3-17-12(10-16-4-6-22-7-5-16)8-11-9-13(24(15,18)19)23-14(11)25(17,20)21/h2,8-9H,1,3-7,10H2,(H2,15,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Alcon Research, Ltd.					Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...				Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0
					More data for this Ligand-Target Pair				3D Structure (docked)