BDBM14721 2,6-di-tert-butyl-4-methyl-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate::pyridinium-containing sulfonamide analog 14d

SMILES: Cc1cc([n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=RTDKCBFGVNJKCZ-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 = 14721   

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))	BDBM14721 (2,6-di-tert-butyl-4-methyl-1-{4-[(5-sulfamoyl-1,3,...) Show SMILES Cc1cc([n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C22H30N5O4S3/c1-14-12-17(21(2,3)4)27(18(13-14)22(5,6)7)15-8-10-16(11-9-15)34(30,31)26-19-24-25-20(32-19)33(23,28)29/h8-13H,1-7H3,(H,24,26)(H2,23,28,29)/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	3.13	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 IV (Bos taurus (bovine))	BDBM14721 (2,6-di-tert-butyl-4-methyl-1-{4-[(5-sulfamoyl-1,3,...) Show SMILES Cc1cc([n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C22H30N5O4S3/c1-14-12-17(21(2,3)4)27(18(13-14)22(5,6)7)15-8-10-16(11-9-15)34(30,31)26-19-24-25-20(32-19)33(23,28)29/h8-13H,1-7H3,(H,24,26)(H2,23,28,29)/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.40	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 1 (Homo sapiens (Human))	BDBM14721 (2,6-di-tert-butyl-4-methyl-1-{4-[(5-sulfamoyl-1,3,...) Show SMILES Cc1cc([n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C22H30N5O4S3/c1-14-12-17(21(2,3)4)27(18(13-14)22(5,6)7)15-8-10-16(11-9-15)34(30,31)26-19-24-25-20(32-19)33(23,28)29/h8-13H,1-7H3,(H,24,26)(H2,23,28,29)/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	11	-10.8	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 9 (Homo sapiens (Human))	BDBM14721 (2,6-di-tert-butyl-4-methyl-1-{4-[(5-sulfamoyl-1,3,...) Show SMILES Cc1cc([n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C22H30N5O4S3/c1-14-12-17(21(2,3)4)27(18(13-14)22(5,6)7)15-8-10-16(11-9-15)34(30,31)26-19-24-25-20(32-19)33(23,28)29/h8-13H,1-7H3,(H,24,26)(H2,23,28,29)/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	34	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