Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nucleotide-binding oligomerization domain-containing protein 2' and Ligand = 'BDBM50516677'   

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
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human NOD2 expressed in HEK293 cells assessed as reduction in MDP-induced IL8 production measured after 22 hrs by HTRF fluorescence ass...				J Med Chem 62: 6482-6494 (2019) Article DOI: 10.1021/acs.jmedchem.9b00575 BindingDB Entry DOI: 10.7270/Q2WS8XKF
					More data for this Ligand-Target Pair
Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens (Human))	BDBM50516677 (CHEMBL4514780) Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NOD2 in human monocytes assessed as reduction in MDP-induced TNFalpha production preincubated for 30 mins followed by MDP-stimulation a...				J Med Chem 62: 6482-6494 (2019) Article DOI: 10.1021/acs.jmedchem.9b00575 BindingDB Entry DOI: 10.7270/Q2WS8XKF
					More data for this Ligand-Target Pair