BDBM50141807 2,6-Diisopropyl-4-methyl-1-[2-(4-sulfamoyl-phenyl)-ethyl]-pyridinium; perchlorate::CHEMBL169789

SMILES: CC(C)c1cc(C)cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=RPZWNMAZDGKOIH-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 = 50141807   

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))	BDBM50141807 (2,6-Diisopropyl-4-methyl-1-[2-(4-sulfamoyl-phenyl)...) Show SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H29N2O2S/c1-14(2)19-12-16(5)13-20(15(3)4)22(19)11-10-17-6-8-18(9-7-17)25(21,23)24/h6-9,12-15H,10-11H2,1-5H3,(H2,21,23,24)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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 9 (Homo sapiens (Human))	BDBM50141807 (2,6-Diisopropyl-4-methyl-1-[2-(4-sulfamoyl-phenyl)...) Show SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H29N2O2S/c1-14(2)19-12-16(5)13-20(15(3)4)22(19)11-10-17-6-8-18(9-7-17)25(21,23)24/h6-9,12-15H,10-11H2,1-5H3,(H2,21,23,24)/q+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	Article PubMed	49	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 IV (Bos taurus (bovine))	BDBM50141807 (2,6-Diisopropyl-4-methyl-1-[2-(4-sulfamoyl-phenyl)...) Show SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H29N2O2S/c1-14(2)19-12-16(5)13-20(15(3)4)22(19)11-10-17-6-8-18(9-7-17)25(21,23)24/h6-9,12-15H,10-11H2,1-5H3,(H2,21,23,24)/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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))	BDBM50141807 (2,6-Diisopropyl-4-methyl-1-[2-(4-sulfamoyl-phenyl)...) Show SMILES CC(C)c1cc(C)cc(C(C)C)[n+]1CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H29N2O2S/c1-14(2)19-12-16(5)13-20(15(3)4)22(19)11-10-17-6-8-18(9-7-17)25(21,23)24/h6-9,12-15H,10-11H2,1-5H3,(H2,21,23,24)/q+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	Article PubMed	3.00E+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