BDBM10891 2-(4-tert-Butylphenylcarboxamido)benzenesulfonamide::4-tert-butyl-N-(2-sulfamoylphenyl)benzamide::aromatic/heteroaromatic sulfonamide 25

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O

InChI Key: InChIKey=PXSZIIQVGWAFNK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 10891   

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))	BDBM10891 (2-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School					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 49: 2117-26 (2006) Article DOI: 10.1021/jm0512600 BindingDB Entry DOI: 10.7270/Q2ZS2TQB
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic Anhydrase (hpCA) (Helicobacter pylori J99)	BDBM10891 (2-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	539	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School					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 49: 2117-26 (2006) Article DOI: 10.1021/jm0512600 BindingDB Entry DOI: 10.7270/Q2ZS2TQB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10891 (2-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School					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 49: 2117-26 (2006) Article DOI: 10.1021/jm0512600 BindingDB Entry DOI: 10.7270/Q2ZS2TQB
					More data for this Ligand-Target Pair