Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50017731'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50017731 (4-Amino-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-th...) Show SMILES NC1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O4S3/c8-5-1-2-15(10,11)7-4(5)3-6(14-7)16(9,12)13/h3,5H,1-2,8H2,(H2,9,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme-Chibret Curated by ChEMBL					Assay Description The equilibrium dissociation constant of the inhibitor-enzyme complex of human Carbonic anhydrase II				J Med Chem 32: 2510-3 (1989) BindingDB Entry DOI: 10.7270/Q29W0G22
					More data for this Ligand-Target Pair				3D Structure (docked)