BDBM10894 4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulfonamide::4-tert-butyl-N-[(4-sulfamoylphenyl)methyl]benzamide::aromatic/heteroaromatic sulfonamide 28

SMILES: CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=MLMBOLOCASDIAK-UHFFFAOYSA-N

Data: 3 KI  1 IC50  1 EC50

PDB links: 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 5 hits for monomerid = 10894   

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 (hpCA) (Helicobacter pylori J99)	BDBM10894 (4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulf...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	62	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 2 (Homo sapiens (Human))	BDBM10894 (4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulf...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	127	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))	BDBM10894 (4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulf...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.33E+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
Bile acid receptor (Homo sapiens (Human))	BDBM10894 (4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulf...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM10894 (4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulf...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair