BDBM50160672 4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::4-Ethylamino-6-(3-methoxy-propyl)-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide::CHEMBL281584::Sulfonamide, 6

SMILES: CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O

InChI Key: InChIKey=QTRMDRWAWPNBKN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50160672   

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))	BDBM50160672 (4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...) Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50160672 (4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...) Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50160672 (4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...) Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50160672 (4-((R)-Ethylamino)-6-(3-methoxy-propyl)-7,7-dioxo-...) Show SMILES CCNC1CC(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C13H22N2O5S3/c1-3-15-11-7-9(5-4-6-20-2)22(16,17)13-10(11)8-12(21-13)23(14,18)19/h8-9,11,15H,3-7H2,1-2H3,(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair