Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nucleotide-binding oligomerization domain-containing protein 1' and Ligand = 'BDBM50239704'   

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 1 (Homo sapiens (Human))	BDBM50239704 (CHEMBL4095985) Show SMILES CN(C)C(=O)CC[C@H]1NC(=O)c2cc(Oc3cccc(c3)N(C)C)c(NC(=O)COCc3ccccc3)cc2NC1=O |r| Show InChI InChI=1S/C31H35N5O6/c1-35(2)21-11-8-12-22(15-21)42-27-16-23-25(34-31(40)24(33-30(23)39)13-14-29(38)36(3)4)17-26(27)32-28(37)19-41-18-20-9-6-5-7-10-20/h5-12,15-17,24H,13-14,18-19H2,1-4H3,(H,32,37)(H,33,39)(H,34,40)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.95E+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 NOD1 expressed in HEK-blue cells assessed as inhibition of C12-iE-DAP-stimulated cell activation preincubated for 3 hrs ...				J Med Chem 60: 5162-5192 (2017) Article DOI: 10.1021/acs.jmedchem.7b00608 BindingDB Entry DOI: 10.7270/Q21N839S
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