BDBM13073 2000-07790::3-nitro-4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonamide::LeadQuest Compound 7

SMILES: NS(=O)(=O)c1ccc(N2CCCC2=O)c(c1)[N+]([O-])=O

InChI Key: InChIKey=FPCPYSKJIRSWIG-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 13073   

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))	BDBM13073 (2000-07790 | 3-nitro-4-(2-oxopyrrolidin-1-yl)benze...) Show SMILES NS(=O)(=O)c1ccc(N2CCCC2=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	7.4	25
University of Marburg					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 45: 3588-602 (2002) Article DOI: 10.1021/jm011112j BindingDB Entry DOI: 10.7270/Q2RJ4GQP
					More data for this Ligand-Target Pair				3D Structure (crystal)