Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Co-chaperonin GroES' and Ligand = 'BDBM50495803'   

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
Co-chaperonin GroES (Escherichia coli)	BDBM50495803 (CHEMBL3115917) Show SMILES CN(C)c1ccc(\C=C2\C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1 Show InChI InChI=1S/C18H17N3O3S/c1-20(2)13-7-5-12(6-8-13)10-15-16(22)19-18(25)21(17(15)23)11-14-4-3-9-24-14/h3-10H,11H2,1-2H3,(H,19,22,25)/b15-10-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 24: 786-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.100 BindingDB Entry DOI: 10.7270/Q27D2Z3M
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50495803 (CHEMBL3115917) Show SMILES CN(C)c1ccc(\C=C2\C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1 Show InChI InChI=1S/C18H17N3O3S/c1-20(2)13-7-5-12(6-8-13)10-15-16(22)19-18(25)21(17(15)23)11-14-4-3-9-24-14/h3-10H,11H2,1-2H3,(H,19,22,25)/b15-10-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.69E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 24: 786-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.100 BindingDB Entry DOI: 10.7270/Q27D2Z3M
					More data for this Ligand-Target Pair