BDBM50084540 2,6-Dimethyl-4-phenyl-1-[(2-sulfamoyl-benzothiazol-6-ylcarbamoyl)-methyl]-pyridinium; perchlorate::CHEMBL421200

SMILES: Cc1cc(cc(C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1

InChI Key: InChIKey=LMUVOZSUCAWFDN-UHFFFAOYSA-O

Data: 3 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 3 hits for monomerid = 50084540   

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))	BDBM50084540 (2,6-Dimethyl-4-phenyl-1-[(2-sulfamoyl-benzothiazol...) Show SMILES Cc1cc(cc(C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S2/c1-14-10-17(16-6-4-3-5-7-16)11-15(2)26(14)13-21(27)24-18-8-9-19-20(12-18)30-22(25-19)31(23,28)29/h3-12H,13H2,1-2H3,(H2-,23,24,27,28,29)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II (CA2)				J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50084540 (2,6-Dimethyl-4-phenyl-1-[(2-sulfamoyl-benzothiazol...) Show SMILES Cc1cc(cc(C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S2/c1-14-10-17(16-6-4-3-5-7-16)11-15(2)26(14)13-21(27)24-18-8-9-19-20(12-18)30-22(25-19)31(23,28)29/h3-12H,13H2,1-2H3,(H2-,23,24,27,28,29)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I (CA1)				J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50084540 (2,6-Dimethyl-4-phenyl-1-[(2-sulfamoyl-benzothiazol...) Show SMILES Cc1cc(cc(C)[n+]1CC(=O)Nc1ccc2nc(sc2c1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C22H20N4O3S2/c1-14-10-17(16-6-4-3-5-7-16)11-15(2)26(14)13-21(27)24-18-8-9-19-20(12-18)30-22(25-19)31(23,28)29/h3-12H,13H2,1-2H3,(H2-,23,24,27,28,29)/p+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes				J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7
					More data for this Ligand-Target Pair