BDBM50248925 CHEMBL4061117::US10981896, Compound 22

SMILES: CN(C)CCCNC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1

InChI Key: InChIKey=MMOUAXSBHFONTL-KARKAFJISA-N

Data: 1 KI  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 3 hits for monomerid = 50248925   

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))	BDBM50248925 (CHEMBL4061117 | US10981896, Compound 22) Show SMILES CN(C)CCCNC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C35H43N7O3/c1-39(2)18-8-17-36-34(44)26-11-16-29-30(23-26)38-35(45)32(29)33(25-9-6-5-7-10-25)37-27-12-14-28(15-13-27)41(4)31(43)24-42-21-19-40(3)20-22-42/h5-7,9-16,23,37H,8,17-22,24H2,1-4H3,(H,36,44)(H,38,45)/b33-32-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s...				Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50248925 (CHEMBL4061117 | US10981896, Compound 22) Show SMILES CN(C)CCCNC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C35H43N7O3/c1-39(2)18-8-17-36-34(44)26-11-16-29-30(23-26)38-35(45)32(29)33(25-9-6-5-7-10-25)37-27-12-14-28(15-13-27)41(4)31(43)24-42-21-19-40(3)20-22-42/h5-7,9-16,23,37H,8,17-22,24H2,1-4H3,(H,36,44)(H,38,45)/b33-32-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM US Patent					Assay Description The top 10 hits from the 1 μM screening and derivatives of MELK-In-1 were subjected to the same assay conditions with varied inhibitor concentra...				US Patent US10981896 (2021)
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50248925 (CHEMBL4061117 | US10981896, Compound 22) Show SMILES CN(C)CCCNC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C35H43N7O3/c1-39(2)18-8-17-36-34(44)26-11-16-29-30(23-26)38-35(45)32(29)33(25-9-6-5-7-10-25)37-27-12-14-28(15-13-27)41(4)31(43)24-42-21-19-40(3)20-22-42/h5-7,9-16,23,37H,8,17-22,24H2,1-4H3,(H,36,44)(H,38,45)/b33-32-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s...				Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF
					More data for this Ligand-Target Pair