BDBM14731 1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfonyl-4-phenyl)]-2-n-butyl-4,6-diphenylpyridinium perchlorate::2-butyl-4,6-diphenyl-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate::pyridinium-containing sulfonamide analog 14o

SMILES: CCCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1

InChI Key: InChIKey=KAPQCQSLIQQMQE-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 = 14731   

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))	BDBM14731 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES CCCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C29H28N5O4S3/c1-2-3-14-25-19-23(21-10-6-4-7-11-21)20-27(22-12-8-5-9-13-22)34(25)24-15-17-26(18-16-24)41(37,38)33-28-31-32-29(39-28)40(30,35)36/h4-13,15-20H,2-3,14H2,1H3,(H,31,33)(H2,30,35,36)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM14731 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES CCCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C29H28N5O4S3/c1-2-3-14-25-19-23(21-10-6-4-7-11-21)20-27(22-12-8-5-9-13-22)34(25)24-15-17-26(18-16-24)41(37,38)33-28-31-32-29(39-28)40(30,35)36/h4-13,15-20H,2-3,14H2,1H3,(H,31,33)(H2,30,35,36)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-11.0	n/a	n/a	n/a	n/a	n/a	7.5	25
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM14731 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES CCCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C29H28N5O4S3/c1-2-3-14-25-19-23(21-10-6-4-7-11-21)20-27(22-12-8-5-9-13-22)34(25)24-15-17-26(18-16-24)41(37,38)33-28-31-32-29(39-28)40(30,35)36/h4-13,15-20H,2-3,14H2,1H3,(H,31,33)(H2,30,35,36)/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM14731 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES CCCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C29H28N5O4S3/c1-2-3-14-25-19-23(21-10-6-4-7-11-21)20-27(22-12-8-5-9-13-22)34(25)24-15-17-26(18-16-24)41(37,38)33-28-31-32-29(39-28)40(30,35)36/h4-13,15-20H,2-3,14H2,1H3,(H,31,33)(H2,30,35,36)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair