BDBM50141775 2,6-Diethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-ethyl]-pyridinium; perchlorate::CHEMBL171589

SMILES: CCc1cc(cc(CC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1

InChI Key: InChIKey=NFACHYXFFSVABE-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 = 50141775   

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))	BDBM50141775 (2,6-Diethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-eth...) Show SMILES CCc1cc(cc(CC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C23H27N2O2S/c1-3-21-16-20(19-8-6-5-7-9-19)17-22(4-2)25(21)15-14-18-10-12-23(13-11-18)28(24,26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H2,24,26,27)/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	8	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))	BDBM50141775 (2,6-Diethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-eth...) Show SMILES CCc1cc(cc(CC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C23H27N2O2S/c1-3-21-16-20(19-8-6-5-7-9-19)17-22(4-2)25(21)15-14-18-10-12-23(13-11-18)28(24,26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H2,24,26,27)/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	9	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 IV (Bos taurus (bovine))	BDBM50141775 (2,6-Diethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-eth...) Show SMILES CCc1cc(cc(CC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C23H27N2O2S/c1-3-21-16-20(19-8-6-5-7-9-19)17-22(4-2)25(21)15-14-18-10-12-23(13-11-18)28(24,26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H2,24,26,27)/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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))	BDBM50141775 (2,6-Diethyl-4-phenyl-1-[2-(4-sulfamoyl-phenyl)-eth...) Show SMILES CCc1cc(cc(CC)[n+]1CCc1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C23H27N2O2S/c1-3-21-16-20(19-8-6-5-7-9-19)17-22(4-2)25(21)15-14-18-10-12-23(13-11-18)28(24,26)27/h5-13,16-17H,3-4,14-15H2,1-2H3,(H2,24,26,27)/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	1.00E+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