Compile Data Set for Download or QSAR

Found 953 hits of ic50 data for polymerid = 7407   

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))	BDBM50235402 (CHEMBL4077934) Show SMILES COc1ccc2nc(CNC(=O)c3ccc(cc3)-c3cnc(Nc4ccccc4)nc3OCC3CCNCC3)[nH]c2c1 Show InChI InChI=1S/C32H33N7O3/c1-41-25-11-12-27-28(17-25)38-29(37-27)19-34-30(40)23-9-7-22(8-10-23)26-18-35-32(36-24-5-3-2-4-6-24)39-31(26)42-20-21-13-15-33-16-14-21/h2-12,17-18,21,33H,13-16,19-20H2,1H3,(H,34,40)(H,37,38)(H,35,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	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
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166059 (US9067937, 2) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-2.92,;5.33,-.61,)| Show InChI InChI=1S/C24H26Cl2N4O2/c1-13(31)17-12-27-21-9-8-20(14-10-18(25)24(32)19(26)11-14)29-23(21)22(17)28-15-4-6-16(7-5-15)30(2)3/h8-12,15-16,32H,4-7H2,1-3H3,(H,27,28)/t15-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166100 (US9067937, 44) Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)CO |r,wU:7.10,wD:4.3,(-4.67,5,;-3.33,4.23,;-2,5,;-3.33,2.69,;-2,1.93,;-2,.38,;-.67,-.38,;.67,.38,;.67,1.93,;-.67,2.69,;2,-.38,;2,-1.93,;3.33,-2.69,;3.33,-4.23,;2,-5,;.67,-4.23,;-.67,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;-3.33,-1.93,;-3.33,-.38,;-4.67,.38,;-4.67,1.93,;-6,-.38,;-7.34,.38,;-6,-1.93,;-7.34,-2.69,;-4.67,-2.69,;4.67,-1.93,;4.67,-.38,;6,-2.69,;7.34,-1.93,)| Show InChI InChI=1S/C25H28Cl2N4O3/c1-31(2)12-14-3-5-16(6-4-14)29-23-17(22(33)13-32)11-28-21-8-7-20(30-24(21)23)15-9-18(26)25(34)19(27)10-15/h7-11,14,16,32,34H,3-6,12-13H2,1-2H3,(H,28,29)/t14-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50185443 (CHEMBL3824328) Show SMILES Fc1cc(ccc1-n1cc(cn1)-c1ccncc1OCC1CCNCC1)N1CCOCC1 Show InChI InChI=1S/C24H28FN5O2/c25-22-13-20(29-9-11-31-12-10-29)1-2-23(22)30-16-19(14-28-30)21-5-8-27-15-24(21)32-17-18-3-6-26-7-4-18/h1-2,5,8,13-16,18,26H,3-4,6-7,9-12,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	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
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM60438 (US9067937, 28) Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.06,4.84,;-1.29,3.5,;.2,3.9,;-1.69,2.02,;-.6,.93,;-1,-.56,;.09,-1.65,;1.58,-1.25,;1.98,.24,;.89,1.33,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;4,-6.19,;2.67,-6.96,;1.33,-6.19,;,-6.96,;-1.33,-6.19,;-1.33,-4.65,;,-3.88,;1.33,-4.65,;-2.67,-3.88,;-2.67,-2.34,;-4,-1.57,;-4,-.03,;-5.33,-2.34,;-6.67,-1.57,;-5.33,-3.88,;-6.67,-4.65,;-4,-4.65,;5.33,-3.88,;6.67,-4.65,;5.33,-2.34,)| Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166117 (US9067937, 61) Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;,-1.18,;-1.33,-.41,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;,1.9,;1.33,1.13,;-2.67,-2.72,;-2.67,-1.18,;-4,-.41,;-4,1.13,;-5.33,-1.18,;-6.67,-.41,;-5.33,-2.72,;-6.67,-3.49,;-4,-3.49,)| Show InChI InChI=1S/C27H30Cl2N4O2/c1-16(34)20-14-30-24-9-8-23(18-12-21(28)27(35)22(29)13-18)32-26(24)25(20)31-19-6-4-17(5-7-19)15-33-10-2-3-11-33/h8-9,12-14,17,19,35H,2-7,10-11,15H2,1H3,(H,30,31)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166154 (US9067937, 202) Show SMILES N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r| Show InChI InChI=1S/C28H26ClFN6O2/c29-20-10-16(11-21(30)28(20)38)22-6-7-23-26(35-22)25(19(13-32-23)27(37)15-3-4-15)34-18-5-8-24(33-12-18)36-9-1-2-17(31)14-36/h5-8,10-13,15,17,38H,1-4,9,14,31H2,(H,32,34)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166137 (US9067937, 81) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-4.77,-2.92,;-6.1,-2.15,;-7.44,-2.92,;-6.1,-.61,;-7.44,.16,;-4.77,.16,;-4.77,1.7,;-3.44,-.61,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)| Show InChI InChI=1S/C26H28ClFN4O2/c1-32(2)17-7-5-16(6-8-17)30-23-18(25(33)14-3-4-14)13-29-22-10-9-21(31-24(22)23)15-11-19(27)26(34)20(28)12-15/h9-14,16-17,34H,3-8H2,1-2H3,(H,29,30)/t16-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166061 (US9067937, 4) Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5,;-3.44,2.69,;-2.1,1.93,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.93,;-.77,2.69,;1.9,-.38,;1.9,-1.93,;3.23,-2.69,;3.23,-4.23,;1.9,-5,;.56,-4.23,;-.77,-5,;-2.1,-4.23,;-2.1,-2.69,;-.77,-1.93,;.56,-2.69,;-3.44,-1.93,;-3.44,-.38,;-4.77,.38,;-4.77,1.93,;-6.1,-.38,;-7.44,.38,;-6.1,-1.93,;-7.44,-2.69,;-4.77,-2.69,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)| Show InChI InChI=1S/C27H30Cl2N4O2/c1-33(2)14-15-3-7-18(8-4-15)31-24-19(26(34)16-5-6-16)13-30-23-10-9-22(32-25(23)24)17-11-20(28)27(35)21(29)12-17/h9-13,15-16,18,35H,3-8,14H2,1-2H3,(H,30,31)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166127 (US9067937, 71) Show SMILES CC(=O)c1cnc2ccc(nc2c1Nc1ccc(nc1)N1CCC[C@H](N)C1)-c1cc(Cl)c(O)c(Cl)c1 |r| Show InChI InChI=1S/C26H24Cl2N6O2/c1-14(35)18-12-30-22-6-5-21(15-9-19(27)26(36)20(28)10-15)33-25(22)24(18)32-17-4-7-23(31-11-17)34-8-2-3-16(29)13-34/h4-7,9-12,16,36H,2-3,8,13,29H2,1H3,(H,30,32)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166072 (US9067937, 15) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:6.9,wD:3.2,(-1.29,5.23,;-1.69,3.74,;-3.18,3.35,;-.6,2.66,;-1,1.17,;.09,.08,;1.58,.48,;1.98,1.96,;.89,3.05,;2.67,-.61,;2.67,-2.15,;4,-2.92,;4,-4.46,;2.67,-5.23,;1.33,-4.46,;,-5.23,;-1.33,-4.46,;-1.33,-2.92,;,-2.15,;1.33,-2.92,;-2.67,-2.15,;-2.67,-.61,;-4,.16,;-4,1.7,;-5.33,-.61,;-6.67,.16,;-5.33,-2.15,;-6.67,-2.92,;-4,-2.92,;5.33,-2.15,;6.67,-2.92,;6.1,-.82,;4.56,-.82,)| Show InChI InChI=1S/C23H26Cl2N4O3S/c1-29(2)15-6-4-14(5-7-15)27-22-20(33(3,31)32)12-26-19-9-8-18(28-21(19)22)13-10-16(24)23(30)17(25)11-13/h8-12,14-15,30H,4-7H2,1-3H3,(H,26,27)/t14-,15-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.542	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human MELK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay				Eur J Med Chem 161: 456-467 (2019) Article DOI: 10.1016/j.ejmech.2018.10.052 BindingDB Entry DOI: 10.7270/Q2W380MT
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166126 (US9067937, 70) Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCNCC2)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.85,;5.33,-3.08,;5.33,-1.54,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.33,3.85,;-1.33,5.39,;-2.67,6.16,;-4,5.39,;-4,3.85,;-1.33,-.77,;,-1.54,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,)| Show InChI InChI=1S/C27H31Cl2N5O2/c1-16(35)20-14-31-24-7-6-23(18-12-21(28)27(36)22(29)13-18)33-26(24)25(20)32-19-4-2-17(3-5-19)15-34-10-8-30-9-11-34/h6-7,12-14,17,19,30,36H,2-5,8-11,15H2,1H3,(H,31,32)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166104 (US9067937, 48) Show SMILES CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(-4,5,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)| Show InChI InChI=1S/C26H30Cl2N4O3/c1-15(34)19-13-29-23-8-7-22(17-11-20(27)26(35)21(28)12-17)31-25(23)24(19)30-18-5-3-16(4-6-18)14-32(2)9-10-33/h7-8,11-13,16,18,33,35H,3-6,9-10,14H2,1-2H3,(H,29,30)/t16-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166136 (US9067937, 80) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-3.44,-.61,;-4.77,.16,;-4.77,1.7,;-6.1,-.61,;-7.44,.16,;-6.1,-2.15,;-7.44,-2.92,;-4.77,-2.92,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)| Show InChI InChI=1S/C26H28Cl2N4O2/c1-32(2)17-7-5-16(6-8-17)30-23-18(25(33)14-3-4-14)13-29-22-10-9-21(31-24(22)23)15-11-19(27)26(34)20(28)12-15/h9-14,16-17,34H,3-8H2,1-2H3,(H,29,30)/t16-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166150 (US9067937, 94) Show SMILES CN(C)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,4.3,(-4,5,;-2.67,4.23,;-1.33,5.01,;-2.67,2.69,;-1.33,1.92,;,2.69,;1.33,1.92,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.39,;2.67,-1.93,;4,-2.7,;4,-4.24,;2.67,-5.01,;1.33,-4.24,;,-5.01,;-1.33,-4.24,;-1.33,-2.7,;,-1.93,;1.33,-2.7,;-2.67,-1.93,;-4,-2.7,;-5.33,-1.93,;-6.67,-2.7,;-5.33,-.39,;-6.67,.38,;-4,.38,;-4,1.92,;-2.67,-.39,;5.33,-1.93,;6.67,-2.7,;5.33,-.39,)| Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166145 (US9067937, 89) Show SMILES CN(C)[C@H]1CC[C@H](CNc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.6,wD:3.2,(,6.16,;1.33,5.39,;2.67,6.16,;1.33,3.85,;,3.08,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;4,-5.39,;2.67,-6.16,;1.33,-5.39,;,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-4,-.77,;-4,.77,;-5.33,-1.54,;-6.67,-.77,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,;5.33,-3.08,;6.67,-3.85,;5.33,-1.54,;2.67,1.54,;2.67,3.08,)| Show InChI InChI=1S/C25H28Cl2N4O2/c1-14(32)18-13-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-12-15-4-6-17(7-5-15)31(2)3/h8-11,13,15,17,33H,4-7,12H2,1-3H3,(H,28,29)/t15-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177519 (US9120749, 886) Show SMILES C[C@H](N)C(=O)N[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:9.12,1.1,wD:6.5,(-.25,3.49,;-1.58,4.26,;-1.18,5.75,;-2.92,3.49,;-4.25,4.26,;-2.92,1.95,;-1.58,1.18,;-1.58,-.36,;-.25,-1.13,;1.08,-.36,;1.08,1.18,;-.25,1.95,;2.42,-1.13,;2.42,-2.67,;3.75,-3.44,;3.75,-4.98,;2.42,-5.75,;1.08,-4.98,;-.25,-5.75,;-1.58,-4.98,;-1.58,-3.44,;-.25,-2.67,;1.08,-3.44,;-2.92,-2.67,;-2.92,-1.13,;-4.25,-.36,;-4.25,.99,;-5.58,-1.13,;-6.92,-.36,;-5.58,-2.67,;-6.92,-3.44,;-4.25,-3.44,;5.09,-2.67,;6.42,-3.44,;5.09,-1.13,)| Show InChI InChI=1S/C26H28Cl2N4O3/c1-13(29)26(35)32-18-6-4-17(5-7-18)31-24-19-9-15(16-10-21(27)25(34)22(28)11-16)3-8-23(19)30-12-20(24)14(2)33/h3,8-13,17-18,34H,4-7,29H2,1-2H3,(H,30,31)(H,32,35)/t13-,17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.687	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human MELK using KKLNRTLSFAEPG as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmc.2018.02.022 BindingDB Entry DOI: 10.7270/Q2DJ5KB8
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166066 (US9067937, 9) Show SMILES CN(C)CC[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:8.11,wD:5.4,(-4,5.78,;-4,4.23,;-5.33,3.47,;-2.67,3.47,;-2.67,1.93,;-1.33,1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;1.33,1.15,;,1.93,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;4,-5,;2.67,-5.78,;1.33,-5,;,-5.78,;-1.33,-5,;-1.33,-3.47,;,-2.69,;1.33,-3.47,;-2.67,-2.69,;-2.67,-1.15,;-4,-.38,;-4,1.15,;-5.33,-1.15,;-6.67,-.38,;-5.33,-2.69,;-6.67,-3.47,;-4,-3.47,;5.33,-2.69,;6.67,-3.47,;5.33,-1.15,)| Show InChI InChI=1S/C26H30Cl2N4O2/c1-15(33)19-14-29-23-9-8-22(17-12-20(27)26(34)21(28)13-17)31-25(23)24(19)30-18-6-4-16(5-7-18)10-11-32(2)3/h8-9,12-14,16,18,34H,4-7,10-11H2,1-3H3,(H,29,30)/t16-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166084 (US9067937, 27) Show SMILES CN1CCC(CNc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 Show InChI InChI=1S/C23H24Cl2N4O2/c1-13(30)16-12-26-20-4-3-19(15-9-17(24)23(31)18(25)10-15)28-22(20)21(16)27-11-14-5-7-29(2)8-6-14/h3-4,9-10,12,14,31H,5-8,11H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177234 (US9120749, 600) Show SMILES OC1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)C1 |r,wU:9.12,wD:6.5,(-1.9,6.47,;-2.67,5.14,;-4.21,5.14,;-4.68,3.67,;-3.44,2.77,;-3.44,1.23,;-2.1,.46,;-2.1,-1.08,;-.77,-1.85,;.56,-1.08,;.56,.46,;-.77,1.23,;1.9,-1.85,;1.9,-3.39,;3.23,-4.16,;3.23,-5.7,;1.9,-6.47,;.56,-5.7,;-.77,-6.47,;-2.1,-5.7,;-2.1,-4.16,;-.77,-3.39,;.56,-4.16,;-3.44,-3.39,;-4.77,-4.16,;-6.1,-3.39,;-7.44,-4.16,;-6.1,-1.85,;-7.44,-1.08,;-4.77,-1.08,;-4.77,.46,;-3.44,-1.85,;4.56,-3.39,;4.56,-1.85,;5.9,-4.16,;6.67,-5.5,;7.44,-4.16,;-2.19,3.67,)| Show InChI InChI=1S/C30H33Cl2N3O3/c31-25-12-20(13-26(32)30(25)38)19-5-8-27-23(11-19)28(24(14-33-27)29(37)18-3-4-18)34-21-6-1-17(2-7-21)15-35-10-9-22(36)16-35/h5,8,11-14,17-18,21-22,36,38H,1-4,6-7,9-10,15-16H2,(H,33,34)/t17-,21-,22?	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177269 (US9120749, 635) Show SMILES CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:9.12,wD:6.5,(-4.93,5.01,;-3.6,4.24,;-2.26,5.01,;-.93,4.24,;.41,5.01,;-3.6,2.7,;-2.26,1.92,;-2.26,.38,;-.93,-.39,;.41,.38,;.41,1.92,;-.93,2.69,;1.74,-.39,;1.74,-1.93,;3.07,-2.7,;3.07,-4.24,;1.74,-5.01,;.41,-4.24,;-.93,-5.01,;-2.26,-4.24,;-2.26,-2.7,;-.93,-1.92,;.41,-2.7,;-3.6,-1.93,;-4.93,-2.7,;-6.26,-1.93,;-7.6,-2.7,;-6.26,-.39,;-7.6,.38,;-4.93,.38,;-4.93,1.92,;-3.6,-.39,;4.41,-1.92,;4.41,-.38,;5.74,-2.69,;6.51,-4.03,;7.28,-2.69,)| Show InChI InChI=1S/C29H33Cl2N3O3/c1-34(10-11-35)16-17-2-7-21(8-3-17)33-27-22-12-19(20-13-24(30)29(37)25(31)14-20)6-9-26(22)32-15-23(27)28(36)18-4-5-18/h6,9,12-15,17-18,21,35,37H,2-5,7-8,10-11,16H2,1H3,(H,32,33)/t17-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177285 (US9120749, 651) Show SMILES N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r| Show InChI InChI=1S/C29H27ClFN5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(14-33-25)28(37)16-3-4-16)35-20-6-8-26(34-13-20)36-9-1-2-19(32)15-36/h5-8,10-14,16,19,38H,1-4,9,15,32H2,(H,33,35)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177268 (US9120749, 634) Show SMILES CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:9.12,wD:6.5,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-.77,4.24,;.56,5.01,;-3.44,2.7,;-2.1,1.92,;-2.1,.38,;-.77,-.39,;.56,.38,;.56,1.92,;-.77,2.69,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.92,;.56,-2.7,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-7.44,-2.7,;-6.1,-.39,;-7.44,.38,;-4.77,.38,;-4.77,1.92,;-3.44,-.39,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)| Show InChI InChI=1S/C29H33Cl2N3O3/c1-34(10-11-35)16-17-2-7-21(8-3-17)33-27-22-12-19(20-13-24(30)29(37)25(31)14-20)6-9-26(22)32-15-23(27)28(36)18-4-5-18/h6,9,12-15,17-18,21,35,37H,2-5,7-8,10-11,16H2,1H3,(H,32,33)/t17-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166119 (US9067937, 63) Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)CC1 |r,wU:6.5,wD:9.12,(-2.67,6.93,;-2.67,5.39,;-1.33,4.62,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-1.33,,;,.77,;1.33,,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;2.67,-2.31,;2.67,-3.85,;4,-4.62,;4,-6.16,;2.67,-6.93,;1.33,-6.16,;,-6.93,;-1.33,-6.16,;-1.33,-4.62,;,-3.85,;1.33,-4.62,;-2.67,-3.85,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,-2.31,;-6.67,-1.54,;-5.33,-3.85,;-6.67,-4.62,;-4,-4.62,;5.33,-3.85,;6.67,-4.62,;5.33,-2.31,;-4,3.08,;-4,4.62,)| Show InChI InChI=1S/C28H33Cl2N5O2/c1-17(36)21-15-31-25-8-7-24(19-13-22(29)28(37)23(30)14-19)33-27(25)26(21)32-20-5-3-18(4-6-20)16-35-11-9-34(2)10-12-35/h7-8,13-15,18,20,37H,3-6,9-12,16H2,1-2H3,(H,31,32)/t18-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166062 (US9067937, 5) Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5,;-3.44,2.69,;-2.1,1.93,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.93,;-.77,2.69,;1.9,-.38,;1.9,-1.93,;3.23,-2.69,;3.23,-4.23,;1.9,-5,;.56,-4.23,;-.77,-5,;-2.1,-4.23,;-2.1,-2.69,;-.77,-1.93,;.56,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-6.1,-.38,;-7.44,.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)| Show InChI InChI=1S/C27H30ClFN4O2/c1-33(2)14-15-3-7-18(8-4-15)31-24-19(26(34)16-5-6-16)13-30-23-10-9-22(32-25(23)24)17-11-20(28)27(35)21(29)12-17/h9-13,15-16,18,35H,3-8,14H2,1-2H3,(H,30,31)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM176910 (US9120749, 276) Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCC(CN(C)C)CC3)c2c1 Show InChI InChI=1S/C28H32ClN3O3/c1-31(2)16-17-8-10-32(11-9-17)26-21-12-19(20-13-23(29)28(34)25(14-20)35-3)6-7-24(21)30-15-22(26)27(33)18-4-5-18/h6-7,12-15,17-18,34H,4-5,8-11,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM176958 (US9120749, 324) Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:4.3,wD:7.10,(-4.77,5.01,;-3.44,4.24,;-2.1,5.01,;-3.44,2.7,;-2.1,1.92,;-.77,2.69,;.56,1.92,;.56,.38,;-.77,-.38,;-2.1,.38,;1.9,-.39,;1.9,-1.93,;3.23,-2.7,;3.23,-4.24,;1.9,-5.01,;.56,-4.24,;-.77,-5.01,;-2.1,-4.24,;-2.1,-2.7,;-.77,-1.92,;.56,-2.7,;-3.44,-1.93,;-4.77,-2.7,;-6.1,-1.93,;-7.44,-2.7,;-6.1,-.39,;-7.44,.38,;-4.77,.39,;-4.77,1.93,;-3.44,-.39,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)| Show InChI InChI=1S/C28H31Cl2N3O2/c1-33(2)15-16-3-8-20(9-4-16)32-26-21-11-18(19-12-23(29)28(35)24(30)13-19)7-10-25(21)31-14-22(26)27(34)17-5-6-17/h7,10-14,16-17,20,35H,3-6,8-9,15H2,1-2H3,(H,31,32)/t16-,20-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177315 (US9120749, 681) Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1 Show InChI InChI=1S/C27H25Cl2N5O2/c1-15(35)21-13-31-24-6-4-16(17-10-22(28)27(36)23(29)11-17)9-20(24)26(21)33-19-5-7-25(32-12-19)34-8-2-3-18(30)14-34/h4-7,9-13,18,36H,2-3,8,14,30H2,1H3,(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.860	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177448 (US9120749, 814) Show SMILES CN1CCC(C1)n1cc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(C)=O)cn1 Show InChI InChI=1S/C25H23Cl2N5O2/c1-14(33)20-11-28-23-4-3-15(16-8-21(26)25(34)22(27)9-16)7-19(23)24(20)30-17-10-29-32(12-17)18-5-6-31(2)13-18/h3-4,7-12,18,34H,5-6,13H2,1-2H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166071 (US9067937, 14) Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(c(N[C@H]3CC[C@H](CN(C)C)CC3)c2n1)S(C)(=O)=O |r,wU:19.19,wD:22.23,(-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-3.33,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-3.33,1.93,;-4.67,-.38,;-6,.38,;-.67,-2.69,;-.67,-4.23,;.67,-5,;2,-4.23,;3.33,-5,;4.67,-4.23,;4.67,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-.67,5,;.67,2.69,;2,1.93,;2,-2.69,;.67,-1.93,;6,-1.93,;7.34,-2.69,;6.77,-.59,;5.23,-.59,)| Show InChI InChI=1S/C25H31ClN4O4S/c1-30(2)14-15-5-7-17(8-6-15)28-24-22(35(4,32)33)13-27-20-10-9-19(29-23(20)24)16-11-18(26)25(31)21(12-16)34-3/h9-13,15,17,31H,5-8,14H2,1-4H3,(H,27,28)/t15-,17-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166118 (US9067937, 62) Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCCC2)CC1)-c1cc(F)c(O)c(Cl)c1 |r,wU:17.19,wD:14.15,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;1.33,1.13,;,1.9,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;-1.33,-.41,;,-1.18,;-2.67,-2.72,;-4,-3.49,;-5.33,-2.72,;-6.67,-3.49,;-5.33,-1.18,;-6.67,-.41,;-4,-.41,;-4,1.13,;-2.67,-1.18,)| Show InChI InChI=1S/C27H30ClFN4O2/c1-16(34)20-14-30-24-9-8-23(18-12-21(28)27(35)22(29)13-18)32-26(24)25(20)31-19-6-4-17(5-7-19)15-33-10-2-3-11-33/h8-9,12-14,17,19,35H,2-7,10-11,15H2,1H3,(H,30,31)/t17-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166153 (US9067937, 201) Show SMILES N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r| Show InChI InChI=1S/C28H26Cl2N6O2/c29-20-10-16(11-21(30)28(20)38)22-6-7-23-26(35-22)25(19(13-32-23)27(37)15-3-4-15)34-18-5-8-24(33-12-18)36-9-1-2-17(31)14-36/h5-8,10-13,15,17,38H,1-4,9,14,31H2,(H,32,34)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.930	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177577 (US9120749, 944) Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4.17,5,;-2.84,4.23,;-1.51,5,;-2.84,2.69,;-1.51,1.93,;-1.51,.38,;-.17,-.38,;1.16,.38,;1.16,1.93,;-.17,2.69,;2.49,-.38,;2.49,-1.93,;3.83,-2.69,;3.83,-4.23,;2.49,-5,;1.16,-4.23,;-.17,-5,;-1.51,-4.23,;-1.51,-2.69,;-.17,-1.92,;1.16,-2.69,;-2.84,-1.93,;-4.17,-2.69,;-5.51,-1.93,;-6.84,-2.69,;-5.51,-.38,;-6.84,.39,;-4.17,.38,;-4.17,1.93,;-2.84,-.38,;5.16,-1.92,;6.49,-2.69,;5.16,-.38,)| Show InChI InChI=1S/C26H29Cl2N3O2/c1-15(32)21-13-29-24-9-6-17(18-11-22(27)26(33)23(28)12-18)10-20(24)25(21)30-19-7-4-16(5-8-19)14-31(2)3/h6,9-13,16,19,33H,4-5,7-8,14H2,1-3H3,(H,29,30)/t16-,19-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177546 (US9120749, 913) Show SMILES CS(=O)(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(Cl)c(O)c(Cl)c1 Show InChI InChI=1S/C26H25Cl2N5O3S/c1-37(35,36)23-13-30-22-6-4-15(16-10-20(27)26(34)21(28)11-16)9-19(22)25(23)32-18-5-7-24(31-12-18)33-8-2-3-17(29)14-33/h4-7,9-13,17,34H,2-3,8,14,29H2,1H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177366 (US9120749, 732 | US9120749, 733) Show SMILES CC(=O)c1cnc2ccc(cc2c1Nc1ccc(nc1)N1CCCC(N)C1)-c1cc(F)c(O)c(Cl)c1 Show InChI InChI=1S/C27H25ClFN5O2/c1-15(35)21-13-31-24-6-4-16(17-10-22(28)27(36)23(29)11-17)9-20(24)26(21)33-19-5-7-25(32-12-19)34-8-2-3-18(30)14-34/h4-7,9-13,18,36H,2-3,8,14,30H2,1H3,(H,31,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50185439 (CHEMBL3823975) Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC[C@H]1CC[C@H](N)CC1 |r,wU:29.33,wD:26.29,(15.54,-1.65,;14.31,-1.69,;13.51,-.37,;11.97,-.41,;11.23,-1.77,;12.04,-3.08,;13.58,-3.04,;9.69,-1.81,;8.89,-.5,;7.35,-.54,;6.62,-1.89,;7.42,-3.21,;8.96,-3.17,;5.09,-2.05,;4.06,-.91,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-1.34,-5.39,;-2.68,-6.16,;-2.68,-7.7,;-1.34,-8.47,;-1.34,-9.7,;-.01,-7.7,;-.01,-6.16,)| Show InChI InChI=1S/C26H34N6O/c1-30-12-14-31(15-13-30)23-6-8-24(9-7-23)32-18-21(16-29-32)25-10-11-28-17-26(25)33-19-20-2-4-22(27)5-3-20/h6-11,16-18,20,22H,2-5,12-15,19,27H2,1H3/t20-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177386 (US9120749, 752) Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@@H]3CCC[C@@H](CN(C)C)C3)c2c1 |r| Show InChI InChI=1S/C27H32ClN3O3/c1-16(32)22-14-29-24-9-8-18(19-12-23(28)27(33)25(13-19)34-4)11-21(24)26(22)30-20-7-5-6-17(10-20)15-31(2)3/h8-9,11-14,17,20,33H,5-7,10,15H2,1-4H3,(H,29,30)/t17-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166131 (US9067937, 75) Show SMILES CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1CCCN1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:17.22,23.25,wD:14.15,(6.67,-3.79,;5.33,-3.02,;5.33,-1.48,;4,-3.79,;4,-5.33,;2.67,-6.1,;1.33,-5.33,;,-6.1,;-1.33,-5.33,;-1.33,-3.79,;,-3.02,;1.33,-3.79,;2.67,-3.02,;2.67,-1.31,;1.33,-.54,;1.33,1,;,1.77,;-1.33,1,;-1.33,-.54,;,-1.31,;-2.67,1.77,;-2.67,3.31,;-4,4.08,;-1.33,4.08,;.13,3.61,;1.04,4.85,;.13,6.1,;-1.33,5.62,;-2.67,-3.02,;-2.67,-1.48,;-4,-.71,;-4,.83,;-5.33,-1.48,;-6.67,-.71,;-5.33,-3.02,;-6.67,-3.79,;-4,-3.79,)| Show InChI InChI=1S/C27H29Cl2N5O3/c1-14(35)18-13-31-22-9-8-21(15-11-19(28)26(36)20(29)12-15)34-25(22)24(18)32-16-4-6-17(7-5-16)33-27(37)23-3-2-10-30-23/h8-9,11-13,16-17,23,30,36H,2-7,10H2,1H3,(H,31,32)(H,33,37)/t16-,17-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177284 (US9120749, 650) Show SMILES N[C@@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r| Show InChI InChI=1S/C29H27Cl2N5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(14-33-25)28(37)16-3-4-16)35-20-6-8-26(34-13-20)36-9-1-2-19(32)15-36/h5-8,10-14,16,19,38H,1-4,9,15,32H2,(H,33,35)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166069 (US9067937, 12) Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)S(C)(=O)=O |r,wU:7.10,wD:4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.93,;,2.69,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-5.33,-.38,;-6.67,.38,;-5.33,-1.93,;-6.67,-2.69,;-4,-2.69,;5.33,-1.93,;6.67,-2.69,;6.1,-.59,;4.56,-.59,)| Show InChI InChI=1S/C24H28Cl2N4O3S/c1-30(2)13-14-4-6-16(7-5-14)28-23-21(34(3,32)33)12-27-20-9-8-19(29-22(20)23)15-10-17(25)24(31)18(26)11-15/h8-12,14,16,31H,4-7,13H2,1-3H3,(H,27,28)/t14-,16-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166105 (US9067937, 49) Show SMILES CN(CCO)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:6.5,wD:9.12,(-4,5,;-2.67,4.23,;-1.33,5,;,4.23,;1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-2.67,-.38,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)| Show InChI InChI=1S/C26H30ClFN4O3/c1-15(34)19-13-29-23-8-7-22(17-11-20(27)26(35)21(28)12-17)31-25(23)24(19)30-18-5-3-16(4-6-18)14-32(2)9-10-33/h7-8,11-13,16,18,33,35H,3-6,9-10,14H2,1-2H3,(H,29,30)/t16-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166139 (US9067937, 83) Show SMILES N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(nc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r| Show InChI InChI=1S/C28H26ClFN6O2/c29-20-10-16(11-21(30)28(20)38)22-6-7-23-26(35-22)25(19(13-32-23)27(37)15-3-4-15)34-18-5-8-24(33-12-18)36-9-1-2-17(31)14-36/h5-8,10-13,15,17,38H,1-4,9,14,31H2,(H,32,34)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177426 (US9120749, 792) Show SMILES CC(=O)c1cnc2ccc(cc2c1N[C@H]1CC[C@H](CN2CCC[C@H]2CO)CC1)-c1cc(Cl)c(O)c(Cl)c1 |r,wU:14.15,wD:17.19,23.26,(6.67,-3.49,;5.33,-2.72,;5.33,-1.18,;4,-3.49,;4,-5.03,;2.67,-5.8,;1.33,-5.03,;,-5.8,;-1.33,-5.03,;-1.33,-3.49,;,-2.72,;1.33,-3.49,;2.67,-2.72,;2.67,-1.18,;1.33,-.41,;,-1.18,;-1.33,-.41,;-1.33,1.13,;-2.67,1.9,;-2.67,3.44,;-1.42,4.34,;-1.9,5.8,;-3.44,5.8,;-3.91,4.34,;-5.25,3.57,;-6.58,4.34,;,1.9,;1.33,1.13,;-2.67,-2.72,;-2.67,-1.18,;-4,-.41,;-4,1.13,;-5.33,-1.18,;-6.67,-.41,;-5.33,-2.72,;-6.67,-3.49,;-4,-3.49,)| Show InChI InChI=1S/C29H33Cl2N3O3/c1-17(36)24-14-32-27-9-6-19(20-12-25(30)29(37)26(31)13-20)11-23(27)28(24)33-21-7-4-18(5-8-21)15-34-10-2-3-22(34)16-35/h6,9,11-14,18,21-22,35,37H,2-5,7-8,10,15-16H2,1H3,(H,32,33)/t18-,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM166149 (US9067937, 93) Show SMILES CN(C)C[C@H]1CC[C@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,4.3,(-4,5,;-2.67,4.23,;-1.33,5,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;1.33,.38,;,-.38,;-1.33,.38,;2.67,-.38,;2.67,-1.93,;4,-2.69,;4,-4.23,;2.67,-5,;1.33,-4.23,;,-5,;-1.33,-4.23,;-1.33,-2.69,;,-1.93,;1.33,-2.69,;-2.67,-1.93,;-4,-2.69,;-5.33,-1.93,;-6.67,-2.69,;-5.33,-.38,;-6.67,.38,;-4,.38,;-4,1.93,;-2.67,-.38,;5.33,-1.93,;6.67,-2.69,;5.33,-.38,)| Show InChI InChI=1S/C25H28ClFN4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
OncoTherapy Science, Inc. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9067937 (2015) BindingDB Entry DOI: 10.7270/Q2BR8QX4
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177071 (US9120749, 437) Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N3CCN(CC3)C(=O)CN(C)C)c2c1 Show InChI InChI=1S/C28H31ClN4O4/c1-31(2)16-25(34)32-8-10-33(11-9-32)26-20-12-18(19-13-22(29)28(36)24(14-19)37-3)6-7-23(20)30-15-21(26)27(35)17-4-5-17/h6-7,12-15,17,36H,4-5,8-11,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177280 (US9120749, 646 | US9120749, 647) Show SMILES N[C@H]1CCCN(C1)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cn1 |r| Show InChI InChI=1S/C29H27Cl2N5O2/c30-23-11-18(12-24(31)29(23)38)17-5-7-25-21(10-17)27(22(14-33-25)28(37)16-3-4-16)35-20-6-8-26(34-13-20)36-9-1-2-19(32)15-36/h5-8,10-14,16,19,38H,1-4,9,15,32H2,(H,33,35)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177260 (US9120749, 626) Show SMILES NC1CCCN(C1)c1ncc(Nc2c(cnc3ccc(cc23)-c2cc(F)c(O)c(Cl)c2)C(=O)C2CC2)cn1 Show InChI InChI=1S/C28H26ClFN6O2/c29-22-9-17(10-23(30)27(22)38)16-5-6-24-20(8-16)25(21(13-32-24)26(37)15-3-4-15)35-19-11-33-28(34-12-19)36-7-1-2-18(31)14-36/h5-6,8-13,15,18,38H,1-4,7,14,31H2,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM177235 (US9120749, 601 | US9120749, 602) Show SMILES CC(C)(N)c1ccc(Nc2c(cnc3ccc(cc23)-c2cc(Cl)c(O)c(Cl)c2)C(=O)C2CC2)cc1 Show InChI InChI=1S/C28H25Cl2N3O2/c1-28(2,31)18-6-8-19(9-7-18)33-25-20-11-16(17-12-22(29)27(35)23(30)13-17)5-10-24(20)32-14-21(25)26(34)15-3-4-15/h5-15,35H,3-4,31H2,1-2H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
ONCOTHERAPY SCIENCE, INC. US Patent					Assay Description MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...				US Patent US9120749 (2015) BindingDB Entry DOI: 10.7270/Q2FX7872
					More data for this Ligand-Target Pair

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