BDBM16658 1-N-benzenebenzene-1,4-disulfonamide::CHEMBL23796::aromatic sulfonamide compound 23

SMILES: NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=FOOYRJIJNYBGIF-UHFFFAOYSA-N

Data: 8 KI

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain 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 8 hits for monomerid = 16658   

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))	BDBM16658 (1-N-benzenebenzene-1,4-disulfonamide | CHEMBL23796...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	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))	BDBM16658 (1-N-benzenebenzene-1,4-disulfonamide | CHEMBL23796...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	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 2 (Homo sapiens (Human))	BDBM16658 (1-N-benzenebenzene-1,4-disulfonamide | CHEMBL23796...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM16658 (1-N-benzenebenzene-1,4-disulfonamide | CHEMBL23796...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM16658 (1-N-benzenebenzene-1,4-disulfonamide | CHEMBL23796...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM16658 (1-N-benzenebenzene-1,4-disulfonamide | CHEMBL23796...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	85	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))	BDBM16658 (1-N-benzenebenzene-1,4-disulfonamide | CHEMBL23796...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM16658 (1-N-benzenebenzene-1,4-disulfonamide | CHEMBL23796...) Show SMILES NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	103	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