BDBM50084608 2,6-Diethyl-4-phenyl-1-{[4-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenylcarbamoyl]-methyl}-pyridinium; perchlorate::CHEMBL102722

SMILES: CCc1cc(cc(CC)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1

InChI Key: InChIKey=FTDINSBLRMXTEW-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 = 50084608   

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))	BDBM50084608 (2,6-Diethyl-4-phenyl-1-{[4-(5-sulfamoyl-[1,3,4]thi...) Show SMILES CCc1cc(cc(CC)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C25H26N6O5S3/c1-3-20-14-18(17-8-6-5-7-9-17)15-21(4-2)31(20)16-23(32)27-19-10-12-22(13-11-19)39(35,36)30-24-28-29-25(37-24)38(26,33)34/h5-15H,3-4,16H2,1-2H3,(H3-,26,27,28,30,32,33,34)/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 IV (Bos taurus (bovine))	BDBM50084608 (2,6-Diethyl-4-phenyl-1-{[4-(5-sulfamoyl-[1,3,4]thi...) Show SMILES CCc1cc(cc(CC)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C25H26N6O5S3/c1-3-20-14-18(17-8-6-5-7-9-17)15-21(4-2)31(20)16-23(32)27-19-10-12-22(13-11-19)39(35,36)30-24-28-29-25(37-24)38(26,33)34/h5-15H,3-4,16H2,1-2H3,(H3-,26,27,28,30,32,33,34)/p+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	BDBM50084608 (2,6-Diethyl-4-phenyl-1-{[4-(5-sulfamoyl-[1,3,4]thi...) Show SMILES CCc1cc(cc(CC)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C25H26N6O5S3/c1-3-20-14-18(17-8-6-5-7-9-17)15-21(4-2)31(20)16-23(32)27-19-10-12-22(13-11-19)39(35,36)30-24-28-29-25(37-24)38(26,33)34/h5-15H,3-4,16H2,1-2H3,(H3-,26,27,28,30,32,33,34)/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	12	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