BDBM210936 4-(2-methylphenyl)-bezenesulfonamide (4b)

SMILES: Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=YPAQIAZVIPIPPM-UHFFFAOYSA-N

Data: 8 KI

PDB links: 2 PDB IDs match 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 8 hits for monomerid = 210936   

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))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (CA IX) (Homo sapiens (Human))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay				J Med Chem 59: 721-32 (2016) BindingDB Entry DOI: 10.7270/Q2K0764T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
					More data for this Ligand-Target Pair