BindingDB PrimarySearch

BDBM50146756 4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide::CHEMBL316779

SMILES: NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1

InChI Key: InChIKey=IOSBUNBTXXXMFG-UHFFFAOYSA-N

Data: 14 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50146756
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis)	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 976-81 (2016) BindingDB Entry DOI: 10.7270/Q2445P9F
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay				J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M
Universita` degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 976-81 (2016) BindingDB Entry DOI: 10.7270/Q2445P9F
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay				J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M
Universita` degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (Mycobacterium tuberculosis)	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description In vitro inhibitory activity against human carbonic anhydrase II (hCAII)				J Med Chem 47: 2796-804 (2004) Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)				J Med Chem 47: 2796-804 (2004) Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay				J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M
Universita` degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 976-81 (2016) BindingDB Entry DOI: 10.7270/Q2445P9F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description In vitro inhibitory activity against human carbonic anhydrase I (hCAI)				J Med Chem 47: 2796-804 (2004) Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay				J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M
Universita` degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50146756 (4-(3-Pentafluorophenyl-ureido)-benzenesulfonamide ...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida College of Medicine Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 976-81 (2016) BindingDB Entry DOI: 10.7270/Q2445P9F
					More data for this Ligand-Target Pair