BDBM14725 2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}-1-pyridin-1-ylium perchlorate::pyridinium-containing sulfonamide analog 14h

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

InChI Key: InChIKey=GPRWAZNAHSCQBJ-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 = 14725   

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))	BDBM14725 (2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...) Show SMILES CCCCc1cc(cc(CCCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C27H32N5O4S3/c1-3-5-12-23-18-21(20-10-8-7-9-11-20)19-24(13-6-4-2)32(23)22-14-16-25(17-15-22)39(35,36)31-26-29-30-27(37-26)38(28,33)34/h7-11,14-19H,3-6,12-13H2,1-2H3,(H,29,31)(H2,28,33,34)/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	4.62	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))	BDBM14725 (2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...) Show SMILES CCCCc1cc(cc(CCCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C27H32N5O4S3/c1-3-5-12-23-18-21(20-10-8-7-9-11-20)19-24(13-6-4-2)32(23)22-14-16-25(17-15-22)39(35,36)31-26-29-30-27(37-26)38(28,33)34/h7-11,14-19H,3-6,12-13H2,1-2H3,(H,29,31)(H2,28,33,34)/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	10	-10.9	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))	BDBM14725 (2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...) Show SMILES CCCCc1cc(cc(CCCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C27H32N5O4S3/c1-3-5-12-23-18-21(20-10-8-7-9-11-20)19-24(13-6-4-2)32(23)22-14-16-25(17-15-22)39(35,36)31-26-29-30-27(37-26)38(28,33)34/h7-11,14-19H,3-6,12-13H2,1-2H3,(H,29,31)(H2,28,33,34)/q+1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10.3	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))	BDBM14725 (2,6-dibutyl-4-phenyl-1-{4-[(5-sulfamoyl-1,3,4-thia...) Show SMILES CCCCc1cc(cc(CCCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C27H32N5O4S3/c1-3-5-12-23-18-21(20-10-8-7-9-11-20)19-24(13-6-4-2)32(23)22-14-16-25(17-15-22)39(35,36)31-26-29-30-27(37-26)38(28,33)34/h7-11,14-19H,3-6,12-13H2,1-2H3,(H,29,31)(H2,28,33,34)/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	40	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