BDBM50141773 2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium; perchlorate::CHEMBL170938

SMILES: Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)c(C)c1

InChI Key: InChIKey=AYRPMTMUTOODTE-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 = 50141773   

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 9 (Homo sapiens (Human))	BDBM50141773 (2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium;...) Show SMILES Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C15H19N2O2S/c1-11-8-12(2)17(13(3)9-11)10-14-4-6-15(7-5-14)20(16,18)19/h4-9H,10H2,1-3H3,(H2,16,18,19)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase IX				Bioorg Med Chem Lett 14: 869-73 (2004) Article DOI: 10.1016/j.bmcl.2003.12.029 BindingDB Entry DOI: 10.7270/Q24M953W
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50141773 (2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium;...) Show SMILES Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C15H19N2O2S/c1-11-8-12(2)17(13(3)9-11)10-14-4-6-15(7-5-14)20(16,18)19/h4-9H,10H2,1-3H3,(H2,16,18,19)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 14: 869-73 (2004) Article DOI: 10.1016/j.bmcl.2003.12.029 BindingDB Entry DOI: 10.7270/Q24M953W
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 4 (Bos taurus (bovine))	BDBM50141773 (2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium;...) Show SMILES Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C15H19N2O2S/c1-11-8-12(2)17(13(3)9-11)10-14-4-6-15(7-5-14)20(16,18)19/h4-9H,10H2,1-3H3,(H2,16,18,19)/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase IV from bovine lung microsomes				Bioorg Med Chem Lett 14: 869-73 (2004) Article DOI: 10.1016/j.bmcl.2003.12.029 BindingDB Entry DOI: 10.7270/Q24M953W
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50141773 (2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium;...) Show SMILES Cc1cc(C)[n+](Cc2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C15H19N2O2S/c1-11-8-12(2)17(13(3)9-11)10-14-4-6-15(7-5-14)20(16,18)19/h4-9H,10H2,1-3H3,(H2,16,18,19)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I				Bioorg Med Chem Lett 14: 869-73 (2004) Article DOI: 10.1016/j.bmcl.2003.12.029 BindingDB Entry DOI: 10.7270/Q24M953W
					More data for this Ligand-Target Pair