BDBM14733 4-methyl-2,6-diphenyl-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate::pyridinium-containing sulfonamide analog 14q

SMILES: Cc1cc(-c2ccccc2)[n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)-c1ccccc1

InChI Key: InChIKey=HFSQGUSWDXVGSO-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 = 14733   

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))	BDBM14733 (4-methyl-2,6-diphenyl-1-{4-[(5-sulfamoyl-1,3,4-thi...) Show SMILES Cc1cc(-c2ccccc2)[n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)-c1ccccc1 Show InChI InChI=1S/C26H22N5O4S3/c1-18-16-23(19-8-4-2-5-9-19)31(24(17-18)20-10-6-3-7-11-20)21-12-14-22(15-13-21)38(34,35)30-25-28-29-26(36-25)37(27,32)33/h2-17H,1H3,(H,28,30)(H2,27,32,33)/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	4.78	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 4 (Bos taurus (bovine))	BDBM14733 (4-methyl-2,6-diphenyl-1-{4-[(5-sulfamoyl-1,3,4-thi...) Show SMILES Cc1cc(-c2ccccc2)[n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)-c1ccccc1 Show InChI InChI=1S/C26H22N5O4S3/c1-18-16-23(19-8-4-2-5-9-19)31(24(17-18)20-10-6-3-7-11-20)21-12-14-22(15-13-21)38(34,35)30-25-28-29-26(36-25)37(27,32)33/h2-17H,1H3,(H,28,30)(H2,27,32,33)/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.80	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))	BDBM14733 (4-methyl-2,6-diphenyl-1-{4-[(5-sulfamoyl-1,3,4-thi...) Show SMILES Cc1cc(-c2ccccc2)[n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)-c1ccccc1 Show InChI InChI=1S/C26H22N5O4S3/c1-18-16-23(19-8-4-2-5-9-19)31(24(17-18)20-10-6-3-7-11-20)21-12-14-22(15-13-21)38(34,35)30-25-28-29-26(36-25)37(27,32)33/h2-17H,1H3,(H,28,30)(H2,27,32,33)/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	6	-11.2	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))	BDBM14733 (4-methyl-2,6-diphenyl-1-{4-[(5-sulfamoyl-1,3,4-thi...) Show SMILES Cc1cc(-c2ccccc2)[n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)-c1ccccc1 Show InChI InChI=1S/C26H22N5O4S3/c1-18-16-23(19-8-4-2-5-9-19)31(24(17-18)20-10-6-3-7-11-20)21-12-14-22(15-13-21)38(34,35)30-25-28-29-26(36-25)37(27,32)33/h2-17H,1H3,(H,28,30)(H2,27,32,33)/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	12	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