BDBM50248935 CHEMBL4062202::US10981896, Compound 23

SMILES: CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)NCCCN)c2ccccc2)cc1

InChI Key: InChIKey=BVOQGWISHQHEIZ-KTMFPKCZSA-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 = 50248935   

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))	BDBM50248935 (CHEMBL4062202 | US10981896, Compound 23) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)NCCCN)c2ccccc2)cc1 Show InChI InChI=1S/C33H39N7O3/c1-38-17-19-40(20-18-38)22-29(41)39(2)26-12-10-25(11-13-26)36-31(23-7-4-3-5-8-23)30-27-14-9-24(21-28(27)37-33(30)43)32(42)35-16-6-15-34/h3-5,7-14,21,36H,6,15-20,22,34H2,1-2H3,(H,35,42)(H,37,43)/b31-30-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>650	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))	BDBM50248935 (CHEMBL4062202 | US10981896, Compound 23) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)NCCCN)c2ccccc2)cc1 Show InChI InChI=1S/C33H39N7O3/c1-38-17-19-40(20-18-38)22-29(41)39(2)26-12-10-25(11-13-26)36-31(23-7-4-3-5-8-23)30-27-14-9-24(21-28(27)37-33(30)43)32(42)35-16-6-15-34/h3-5,7-14,21,36H,6,15-20,22,34H2,1-2H3,(H,35,42)(H,37,43)/b31-30-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+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))	BDBM50248935 (CHEMBL4062202 | US10981896, Compound 23) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(=O)NCCCN)c2ccccc2)cc1 Show InChI InChI=1S/C33H39N7O3/c1-38-17-19-40(20-18-38)22-29(41)39(2)26-12-10-25(11-13-26)36-31(23-7-4-3-5-8-23)30-27-14-9-24(21-28(27)37-33(30)43)32(42)35-16-6-15-34/h3-5,7-14,21,36H,6,15-20,22,34H2,1-2H3,(H,35,42)(H,37,43)/b31-30-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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