BDBM16650 N-(4-sulfamoylphenyl)hexanamide::aromatic sulfonamide compound 15

SMILES: CCCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=YSXLMBQOWQEROH-UHFFFAOYSA-N

Data: 4 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 16650   

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 VA (Mus musculus (mouse))	BDBM16650 (N-(4-sulfamoylphenyl)hexanamide | aromatic sulfona...) Show SMILES CCCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H18N2O3S/c1-2-3-4-5-12(15)14-10-6-8-11(9-7-10)18(13,16)17/h6-9H,2-5H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM16650 (N-(4-sulfamoylphenyl)hexanamide | aromatic sulfona...) Show SMILES CCCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H18N2O3S/c1-2-3-4-5-12(15)14-10-6-8-11(9-7-10)18(13,16)17/h6-9H,2-5H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM16650 (N-(4-sulfamoylphenyl)hexanamide | aromatic sulfona...) Show SMILES CCCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H18N2O3S/c1-2-3-4-5-12(15)14-10-6-8-11(9-7-10)18(13,16)17/h6-9H,2-5H2,1H3,(H,14,15)(H2,13,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					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: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM16650 (N-(4-sulfamoylphenyl)hexanamide | aromatic sulfona...) Show SMILES CCCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H18N2O3S/c1-2-3-4-5-12(15)14-10-6-8-11(9-7-10)18(13,16)17/h6-9H,2-5H2,1H3,(H,14,15)(H2,13,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.42E+4	-6.61	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					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: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair