Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Maternal embryonic leucine zipper kinase' and Ligand = 'BDBM50185433'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50185433 (CHEMBL3824068) Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1 Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	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 catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...				J Med Chem 59: 4711-23 (2016) Article DOI: 10.1021/acs.jmedchem.6b00052 BindingDB Entry DOI: 10.7270/Q2MK6FTG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50185433 (CHEMBL3824068) Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1 Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Binding affinity to MELK (unknown origin) expressed in Escherichia coli by SPR analysis				J Med Chem 59: 4711-23 (2016) Article DOI: 10.1021/acs.jmedchem.6b00052 BindingDB Entry DOI: 10.7270/Q2MK6FTG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50185433 (CHEMBL3824068) Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1 Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of full-length MELK (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence of 2...				J Med Chem 59: 4711-23 (2016) Article DOI: 10.1021/acs.jmedchem.6b00052 BindingDB Entry DOI: 10.7270/Q2MK6FTG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50185433 (CHEMBL3824068) Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1 Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	140	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 catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...				J Med Chem 59: 4711-23 (2016) Article DOI: 10.1021/acs.jmedchem.6b00052 BindingDB Entry DOI: 10.7270/Q2MK6FTG
					More data for this Ligand-Target Pair				3D Structure (crystal)