BDBM50128334 CHEMBL3629015

SMILES: N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCOC2)c1

InChI Key: InChIKey=KVTRUPCBRDHKMC-UHFFFAOYSA-N

Data: 1 KI

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 = 50128334   

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 12 (Homo sapiens (Human))	BDBM50128334 (CHEMBL3629015) Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCOC2)c1 Show InChI InChI=1S/C21H26N6O2/c22-11-15-1-5-23-20(9-15)24-21-10-19(27(25-21)17-4-8-28-12-17)16-2-6-26(7-3-16)18-13-29-14-18/h1,5,9-10,16-18H,2-4,6-8,12-14H2,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba...				J Med Chem 58: 8182-99 (2015) BindingDB Entry DOI: 10.7270/Q27D2WZ0
					More data for this Ligand-Target Pair