BDBM50242707 CHEMBL4099061

SMILES: CC(C)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1

InChI Key: InChIKey=NVCNSCNNTAXPPA-WKILWMFISA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242707   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50242707 (CHEMBL4099061) Show SMILES CC(C)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:12.11,wD:15.18,(36.6,-20.41,;36.6,-21.95,;35.27,-22.72,;37.94,-22.72,;37.93,-24.26,;39.27,-25.03,;40.6,-24.26,;41.94,-25.02,;43.27,-24.25,;43.26,-22.7,;41.93,-21.94,;41.92,-20.4,;43.25,-19.62,;43.24,-18.09,;44.57,-17.32,;45.91,-18.08,;45.91,-19.62,;44.58,-20.39,;47.24,-17.31,;48.58,-18.08,;47.24,-15.77,;40.6,-22.71,;39.27,-21.95,)| Show InChI InChI=1S/C19H28N4/c1-13(2)14-5-10-18-17(11-14)19(21-12-20-18)22-15-6-8-16(9-7-15)23(3)4/h5,10-13,15-16H,6-9H2,1-4H3,(H,20,21,22)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]NANM of sigma binding site in Guinea pig brain membranes				Bioorg Med Chem Lett 27: 2721-2726 (2017) Article DOI: 10.1016/j.bmcl.2017.04.050 BindingDB Entry DOI: 10.7270/Q2RR21NQ
					More data for this Ligand-Target Pair