BDBM50235407 CHEMBL4088246

SMILES: O=C(NCc1nc2ccccc2[nH]1)c1ccc(cc1)-c1cnc(Nc2ccccc2)nc1OCC1CCNCC1

InChI Key: InChIKey=VQJXLQRTWFSTIB-UHFFFAOYSA-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 = 50235407   

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
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50235407 (CHEMBL4088246) Show SMILES O=C(NCc1nc2ccccc2[nH]1)c1ccc(cc1)-c1cnc(Nc2ccccc2)nc1OCC1CCNCC1 Show InChI InChI=1S/C31H31N7O2/c39-29(33-19-28-36-26-8-4-5-9-27(26)37-28)23-12-10-22(11-13-23)25-18-34-31(35-24-6-2-1-3-7-24)38-30(25)40-20-21-14-16-32-17-15-21/h1-13,18,21,32H,14-17,19-20H2,(H,33,39)(H,36,37)(H,34,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) containing kinase domain and UBA domain using STK S1 as substrate after 20 mins by HTRF assay				J Med Chem 60: 2155-2161 (2017) Article DOI: 10.1021/acs.jmedchem.7b00033 BindingDB Entry DOI: 10.7270/Q2MC928T
					More data for this Ligand-Target Pair