BDBM50084607 2,6-Diethyl-1-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-4-phenyl-pyridinium; perchlorate::CHEMBL439957

SMILES: CCc1cc(cc(CC)[n+]1CC(=O)N=c1sc(nn1C)S(N)(=O)=O)-c1ccccc1

InChI Key: InChIKey=FDHBUMXEERWSFK-UHFFFAOYSA-N

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 = 50084607   

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))	BDBM50084607 (2,6-Diethyl-1-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thi...) Show SMILES CCc1cc(cc(CC)[n+]1CC(=O)N=c1sc(nn1C)S(N)(=O)=O)-c1ccccc1 |w:13.13| Show InChI InChI=1S/C20H24N5O3S2/c1-4-16-11-15(14-9-7-6-8-10-14)12-17(5-2)25(16)13-18(26)22-19-24(3)23-20(29-19)30(21,27)28/h6-12H,4-5,13H2,1-3H3,(H2,21,27,28)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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 4 (Bos taurus (bovine))	BDBM50084607 (2,6-Diethyl-1-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thi...) Show SMILES CCc1cc(cc(CC)[n+]1CC(=O)N=c1sc(nn1C)S(N)(=O)=O)-c1ccccc1 |w:13.13| Show InChI InChI=1S/C20H24N5O3S2/c1-4-16-11-15(14-9-7-6-8-10-14)12-17(5-2)25(16)13-18(26)22-19-24(3)23-20(29-19)30(21,27)28/h6-12H,4-5,13H2,1-3H3,(H2,21,27,28)/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50084607 (2,6-Diethyl-1-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thi...) Show SMILES CCc1cc(cc(CC)[n+]1CC(=O)N=c1sc(nn1C)S(N)(=O)=O)-c1ccccc1 |w:13.13| Show InChI InChI=1S/C20H24N5O3S2/c1-4-16-11-15(14-9-7-6-8-10-14)12-17(5-2)25(16)13-18(26)22-19-24(3)23-20(29-19)30(21,27)28/h6-12H,4-5,13H2,1-3H3,(H2,21,27,28)/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	PubMed	300	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