BDBM91708 Sulfonamide, 8

SMILES: NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1

InChI Key: InChIKey=YAMCZETVXPUYSM-UHFFFAOYSA-N

Data: 5 KI  2 IC50

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 7 hits for monomerid = 91708   

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 12 (Homo sapiens (Human))	BDBM91708 (Sulfonamide, 8) Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1 Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM91708 (Sulfonamide, 8) Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1 Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM91708 (Sulfonamide, 8) Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1 Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 71: 105-11 (2014) Article DOI: 10.1016/j.ejmech.2013.10.071 BindingDB Entry DOI: 10.7270/Q2348PBQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM91708 (Sulfonamide, 8) Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1 Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM91708 (Sulfonamide, 8) Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1 Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Petroleum Research Institute					Assay Description Inhibition assay using carbonic anhydrases.				J Enzyme Inhib Med Chem 24: 499-505 (2009) Article DOI: 10.1080/14756360802218441 BindingDB Entry DOI: 10.7270/Q24748GC
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM91708 (Sulfonamide, 8) Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1 Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of STS activity in human placental microsome				J Med Chem 58: 7634-58 (2015) BindingDB Entry DOI: 10.7270/Q2474CP9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM91708 (Sulfonamide, 8) Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCC3C(=O)Oc2c1 Show InChI InChI=1S/C14H17NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8,10,12H,1-5H2,(H2,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				J Med Chem 58: 7634-58 (2015) BindingDB Entry DOI: 10.7270/Q2474CP9
					More data for this Ligand-Target Pair