BDBM50043378 CHEMBL3355064

SMILES: FC(F)(F)c1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1

InChI Key: InChIKey=XKGCPTUAWPCZNG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50043378   

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 (MELK) (Homo sapiens (Human))	BDBM50043378 (CHEMBL3355064) Show SMILES FC(F)(F)c1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1 Show InChI InChI=1S/C24H22F3N3O/c25-24(26,27)23-15-22(6-5-20(23)17-30-11-9-28-10-12-30)31-13-1-2-18-3-4-19-7-8-29-16-21(19)14-18/h3-8,14-16,28H,9-13,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) using KKLNRTLSFAEPG substrate by Millipore/scintillation counting analysis				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (MELK) (Homo sapiens (Human))	BDBM50043378 (CHEMBL3355064) Show SMILES FC(F)(F)c1cc(OCC#Cc2ccc3ccncc3c2)ccc1CN1CCNCC1 Show InChI InChI=1S/C24H22F3N3O/c25-24(26,27)23-15-22(6-5-20(23)17-30-11-9-28-10-12-30)31-13-1-2-18-3-4-19-7-8-29-16-21(19)14-18/h3-8,14-16,28H,9-13,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of MELK (unknown origin) using Biotin-KKLNRTLSFAEPG substrate by Astex/scintillation counting analysis				ACS Med Chem Lett 6: 31-6 (2015) Article DOI: 10.1021/ml5001273 BindingDB Entry DOI: 10.7270/Q26111XQ
					More data for this Ligand-Target Pair