BDBM33282 CHEMBL171476::bis-sulfamate, 4

SMILES: NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O

InChI Key: InChIKey=XPDWKENHTJHZSC-UHFFFAOYSA-N

Data: 15 KI

PDB links: 1 PDB ID matches 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 15 hits for monomerid = 33282   

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 9 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	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	7	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 Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX				Bioorg Med Chem Lett 15: 579-84 (2005) Article DOI: 10.1016/j.bmcl.2004.11.058 BindingDB Entry DOI: 10.7270/Q2Z038XV
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	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	24.5	-10.3	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	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	24.5	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 Inhibitory activity against cytosolic human carbonic anhydrase II				Bioorg Med Chem Lett 15: 579-84 (2005) Article DOI: 10.1016/j.bmcl.2004.11.058 BindingDB Entry DOI: 10.7270/Q2Z038XV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	91.2	-9.53	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	92.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	852	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	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	890	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 Inhibitory activity against cytosolic human carbonic anhydrase I				Bioorg Med Chem Lett 15: 579-84 (2005) Article DOI: 10.1016/j.bmcl.2004.11.058 BindingDB Entry DOI: 10.7270/Q2Z038XV
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	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	890	-8.19	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase III (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.21E+3	-8.01	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.37E+3	-7.94	n/a	n/a	n/a	n/a	n/a	7.5	23
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM33282 (CHEMBL171476 | bis-sulfamate, 4) Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR					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 52: 5990-8 (2009) Article DOI: 10.1021/jm900641r BindingDB Entry DOI: 10.7270/Q2GF0RVR
					More data for this Ligand-Target Pair