BDBM50229847 CHEMBL91512

SMILES: COC(=O)CCC(=O)\N=c1\sc(nn1C)S(N)(=O)=O

InChI Key: InChIKey=JLRVGIMNHNXEKF-JXMROGBWSA-N

Data: 1 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 1 hit for monomerid = 50229847   

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 (Homo sapiens (Human))	BDBM50229847 (CHEMBL91512) Show SMILES COC(=O)CCC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C8H12N4O5S2/c1-12-7(18-8(11-12)19(9,15)16)10-5(13)3-4-6(14)17-2/h3-4H2,1-2H3,(H2,9,15,16)/b10-7+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Chimico Internazionale Dr. G. Rende Curated by ChEMBL					Assay Description Inhibition of Carbonic anhydrase enzyme in rabbits				J Med Chem 35: 2697-703 (1992) BindingDB Entry DOI: 10.7270/Q2K076G9
					More data for this Ligand-Target Pair