BDBM50044276 CHEMBL3321858

SMILES: CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1)C(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=YDJYOHZQRXDAIE-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50044276   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50044276 (CHEMBL3321858) Show SMILES CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C32H30N4O2/c1-35(32(38)26-14-13-22-7-2-3-8-24(22)19-26)18-17-30-34-28-11-4-5-12-29(28)36(30)21-31(37)33-27-16-15-23-9-6-10-25(23)20-27/h2-5,7-8,11-16,19-20H,6,9-10,17-18,21H2,1H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of NOD1 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay				J Med Chem 57: 6897-918 (2014) Article DOI: 10.1021/jm401841p BindingDB Entry DOI: 10.7270/Q2PV6N0K
					More data for this Ligand-Target Pair