BDBM50023726 CHEMBL3330171

SMILES: NC(=O)c1ccc(OC2CCNCC2)c2c(c[nH]c12)C#N

InChI Key: InChIKey=LJQBAOLMNHGSQC-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50023726   

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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50023726 (CHEMBL3330171) Show SMILES NC(=O)c1ccc(OC2CCNCC2)c2c(c[nH]c12)C#N Show InChI InChI=1S/C15H16N4O2/c16-7-9-8-19-14-11(15(17)20)1-2-12(13(9)14)21-10-3-5-18-6-4-10/h1-2,8,10,18-19H,3-6H2,(H2,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Inhibition of ASK1 (unknown origin)				Bioorg Med Chem Lett 24: 4418-23 (2014) Article DOI: 10.1016/j.bmcl.2014.08.011 BindingDB Entry DOI: 10.7270/Q2348MZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)