Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nucleotide-binding oligomerization domain-containing protein 2' and Ligand = 'BDBM50239690'   

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))	BDBM50239690 (CHEMBL4060748) Show SMILES CN(C)c1cccc(Oc2cc3c(NC(=O)[C@@H](CCC(=O)N4CCCC4)NC3=O)cc2NC(=O)COCc2ccccc2)c1 |r| Show InChI InChI=1S/C33H37N5O6/c1-37(2)23-11-8-12-24(17-23)44-29-18-25-27(19-28(29)34-30(39)21-43-20-22-9-4-3-5-10-22)36-33(42)26(35-32(25)41)13-14-31(40)38-15-6-7-16-38/h3-5,8-12,17-19,26H,6-7,13-16,20-21H2,1-2H3,(H,34,39)(H,35,41)(H,36,42)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Antagonist activity at human NOD2 expressed in HEK-Blue cells assessed as inhibition of MDP-stimulated cell activation preincubated for 3 hrs followe...				J Med Chem 60: 5162-5192 (2017) Article DOI: 10.1021/acs.jmedchem.7b00608 BindingDB Entry DOI: 10.7270/Q21N839S
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