Compile Data Set for Download or QSAR

Found 113 hits with Last Name = 'anslyn' and Initial = 'ev'   

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))	BDBM50248937 (CHEMBL4062168 | US10981896, Compound 15) Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.390	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))	BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.470	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))	BDBM50248938 (CHEMBL4089284 | US10981896, Compound 21) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.680	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
NUAK family SNF1-like kinase 1 (Homo sapiens (Human))	BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	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 full length recombinant human N-terminal GST-tagged NUAK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as subst...				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))	BDBM50248936 (CHEMBL4083922 | US10981896, Compound 25) Show SMILES CNC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H34N6O3/c1-32-30(39)22-9-14-26-25(19-22)28(31(40)34-26)29(21-7-5-4-6-8-21)33-23-10-12-24(13-11-23)36(3)27(38)20-37-17-15-35(2)16-18-37/h4-14,19,33H,15-18,20H2,1-3H3,(H,32,39)(H,34,40)/b29-28-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	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))	BDBM50248945 (CHEMBL4081410 | US10981896, Compound 19) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(F)cc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H30FN5O2/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	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))	BDBM50026612 (BIBF-1120 | Nintedanib | US10981896, Compound Nint...) Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	5.60	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				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50248937 (CHEMBL4062168 | US10981896, Compound 15) Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	7	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 full length recombinant human N-terminal His-tagged CHK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as substr...				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
NUAK family SNF1-like kinase 1 (Homo sapiens (Human))	BDBM50248938 (CHEMBL4089284 | US10981896, Compound 21) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.60	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 full length recombinant human N-terminal GST-tagged NUAK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as subst...				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))	BDBM50248950 (CHEMBL4070814) Show SMILES CN(C)C(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C32H36N6O3/c1-35(2)32(41)23-10-15-27-26(20-23)29(31(40)34-27)30(22-8-6-5-7-9-22)33-24-11-13-25(14-12-24)37(4)28(39)21-38-18-16-36(3)17-19-38/h5-15,20,33H,16-19,21H2,1-4H3,(H,34,40)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	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 full length recombinant human N-terminal His-tagged CHK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as substr...				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
NUAK family SNF1-like kinase 1 (Homo sapiens (Human))	BDBM50248937 (CHEMBL4062168 | US10981896, Compound 15) Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	11	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 full length recombinant human N-terminal GST-tagged NUAK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as subst...				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
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	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 CAMKK2 (unknown origin) using NUAK2 peptide as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation co...				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
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50248937 (CHEMBL4062168 | US10981896, Compound 15) Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	31	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 CAMKK2 (unknown origin) using NUAK2 peptide as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation co...				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))	BDBM50248947 (CHEMBL4075402 | US10981896, Compound 18) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(C)=O)c2ccccc2)cc1 Show InChI InChI=1S/C31H33N5O3/c1-21(37)23-9-14-27-26(19-23)29(31(39)33-27)30(22-7-5-4-6-8-22)32-24-10-12-25(13-11-24)35(3)28(38)20-36-17-15-34(2)16-18-36/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,39)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50248938 (CHEMBL4089284 | US10981896, Compound 21) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	81	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 full length recombinant human N-terminal His-tagged CHK1 expressed in baculovirus infected Sf9 insect cells using CHK peptide as substr...				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
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM50248938 (CHEMBL4089284 | US10981896, Compound 21) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	85	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 CAMKK2 (unknown origin) using NUAK2 peptide as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation co...				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))	BDBM50248924 (CHEMBL4099431 | US10981896, Compound 20) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	149	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	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))	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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	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 ERK2 (unknown origin) using Ets-1 as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting met...				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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50248937 (CHEMBL4062168 | US10981896, Compound 15) Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	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 ERK2 (unknown origin) using Ets-1 as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting met...				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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50248938 (CHEMBL4089284 | US10981896, Compound 21) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	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 ERK2 (unknown origin) using Ets-1 as substrate measured after 30 mins in presence of [gamma32P]ATP by liquid scintillation counting met...				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))	BDBM50248937 (CHEMBL4062168 | US10981896, Compound 15) Show SMILES COC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50248946 (CHEMBL1908392 | US10981896, Compound 16) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccccc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H31N5O2/c1-32-16-18-34(19-17-32)20-26(35)33(2)23-14-12-22(13-15-23)30-28(21-8-4-3-5-9-21)27-24-10-6-7-11-25(24)31-29(27)36/h3-15,30H,16-20H2,1-2H3,(H,31,36)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	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))	BDBM50248938 (CHEMBL4089284 | US10981896, Compound 21) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30(38)39)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	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))	BDBM50248936 (CHEMBL4083922 | US10981896, Compound 25) Show SMILES CNC(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C31H34N6O3/c1-32-30(39)22-9-14-26-25(19-22)28(31(40)34-26)29(21-7-5-4-6-8-21)33-23-10-12-24(13-11-23)36(3)27(38)20-37-17-15-35(2)16-18-37/h4-14,19,33H,15-18,20H2,1-3H3,(H,32,39)(H,34,40)/b29-28-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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))	BDBM50248945 (CHEMBL4081410 | US10981896, Compound 19) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(F)cc23)c2ccccc2)cc1 Show InChI InChI=1S/C29H30FN5O2/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-18-21(30)8-13-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	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))	BDBM50026612 (BIBF-1120 | Nintedanib | US10981896, Compound Nint...) Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	43	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				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50248950 (CHEMBL4070814) Show SMILES CN(C)C(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C32H36N6O3/c1-35(2)32(41)23-10-15-27-26(20-23)29(31(40)34-27)30(22-8-6-5-7-9-22)33-24-11-13-25(14-12-24)37(4)28(39)21-38-18-16-36(3)17-19-38/h5-15,20,33H,16-19,21H2,1-4H3,(H,34,40)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	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))	BDBM50273571 (CHEMBL514409 | Hesperadin | N-(2-oxo-3-(phenyl(4-(...) Show SMILES CCS(=O)(=O)Nc1ccc2NC(=O)C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 |w:15.15| Show InChI InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,27,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	225	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
Eukaryotic elongation factor 2 kinase (Homo sapiens (Human))	BDBM50053584 (CHEMBL1977874) Show SMILES CCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description ATP competitive inhibition of human eEF-2K using 5 uM ATP				Bioorg Med Chem 22: 4910-6 (2014) Article DOI: 10.1016/j.bmc.2014.06.050 BindingDB Entry DOI: 10.7270/Q2XD139S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50109821 (CHEBI:87103 | CHEMBL21156 | US10981896, Compound 4...) Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21 Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	330	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))	BDBM50248942 (CC-401) Show SMILES C(CN1CCCCC1)Oc1cccc(c1)-c1n[nH]c2ccc(cc12)-c1nnc[nH]1 Show InChI InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	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))	BDBM50248947 (CHEMBL4075402 | US10981896, Compound 18) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3ccc(cc23)C(C)=O)c2ccccc2)cc1 Show InChI InChI=1S/C31H33N5O3/c1-21(37)23-9-14-27-26(19-23)29(31(39)33-27)30(22-7-5-4-6-8-22)32-24-10-12-25(13-11-24)35(3)28(38)20-36-17-15-34(2)16-18-36/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,39)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	354	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))	BDBM50248948 (CHEMBL4064740) Show SMILES Cl.CN(\N=C\C1=CC=C2C=CC(Br)=CC12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O |c:8,11,t:4,6| Show InChI InChI=1S/C18H16BrN3O4S.ClH/c1-12-3-8-16(22(23)24)10-18(12)27(25,26)21(2)20-11-14-5-4-13-6-7-15(19)9-17(13)14;/h3-11,17H,1-2H3;1H/b20-11+;	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	400	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
Eukaryotic elongation factor 2 kinase (Homo sapiens (Human))	BDBM50053584 (CHEMBL1977874) Show SMILES CCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O Show InChI InChI=1S/C13H15N5O3/c1-2-17-12(20)8-5-7(10(15)19)9(14)16-11(8)18(13(17)21)6-3-4-6/h5-6H,2-4H2,1H3,(H2,14,16)(H2,15,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	420	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 human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintilla...				Bioorg Med Chem 22: 4910-6 (2014) Article DOI: 10.1016/j.bmc.2014.06.050 BindingDB Entry DOI: 10.7270/Q2XD139S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50248949 (CHEMBL4080669) Show SMILES Cl.Cl.NC(=N)NCCNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C12H15N5O2S/c13-12(14)16-6-7-17-20(18,19)11-3-1-2-9-8-15-5-4-10(9)11/h1-5,8,17H,6-7H2,(H4,13,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	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))	BDBM50243388 (AT-9283 | US10981896, Compound AT9283) Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1 Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	685	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))	BDBM50248944 (CHEMBL4088537 | US10981896, Compound 527450) Show SMILES O=C1Nc2ccc3scnc3c2\C1=C\c1cnc[nH]1 Show InChI InChI=1S/C13H8N4OS/c18-13-8(3-7-4-14-5-15-7)11-9(17-13)1-2-10-12(11)16-6-19-10/h1-6H,(H,14,15)(H,17,18)/b8-3-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	720	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))	BDBM4815 (5-{[(3Z)-5-chloro-2-oxo-2,3-dihydro-1H-indol-3-yli...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Cl)cc23)c1C Show InChI InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	760	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))	BDBM50248943 (CHEMBL4061324) Show SMILES Cl.NC(=O)Nc1cc(sc1C(=O)N[C@@H]1CCCNC1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C17H19FN4O2S.ClH/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12;/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24);1H/t12-;/m1./s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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
Eukaryotic elongation factor 2 kinase (Homo sapiens (Human))	BDBM50053583 (CHEMBL3327225) Show SMILES CCCn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O Show InChI InChI=1S/C14H17N5O3/c1-2-5-18-13(21)9-6-8(11(16)20)10(15)17-12(9)19(14(18)22)7-3-4-7/h6-7H,2-5H2,1H3,(H2,15,17)(H2,16,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	930	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 human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintilla...				Bioorg Med Chem 22: 4910-6 (2014) Article DOI: 10.1016/j.bmc.2014.06.050 BindingDB Entry DOI: 10.7270/Q2XD139S
					More data for this Ligand-Target Pair
Eukaryotic elongation factor 2 kinase (Homo sapiens (Human))	BDBM50053577 (CHEMBL3326370) Show SMILES CCn1c2nc(N)c(cc2c(=O)n(CC)c1=O)C(N)=O Show InChI InChI=1S/C12H15N5O3/c1-3-16-10-7(11(19)17(4-2)12(16)20)5-6(9(14)18)8(13)15-10/h5H,3-4H2,1-2H3,(H2,13,15)(H2,14,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+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 human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintilla...				Bioorg Med Chem 22: 4910-6 (2014) Article DOI: 10.1016/j.bmc.2014.06.050 BindingDB Entry DOI: 10.7270/Q2XD139S
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50248924 (CHEMBL4099431 | US10981896, Compound 20) Show SMILES CN(C(=O)CN1CCN(C)CC1)c1ccc(N\C(=C2/C(=O)Nc3cc(ccc23)C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+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
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
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
Ricin (Ricinus communis)	BDBM50424241 (CHEMBL2314138) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C18H17N7O6/c19-18-24-14-13(16(29)25-18)20-6-11(23-14)15(28)21-7-12(27)22-10(17(30)31)5-8-1-3-9(26)4-2-8/h1-4,6,10,26H,5,7H2,(H,21,28)(H,22,27)(H,30,31)(H3,19,23,24,25,29)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay				J Med Chem 56: 320-9 (2013) Article DOI: 10.1021/jm3016393 BindingDB Entry DOI: 10.7270/Q2SN0B81
					More data for this Ligand-Target Pair
Eukaryotic elongation factor 2 kinase (Homo sapiens (Human))	BDBM50053587 (CHEMBL3327224) Show SMILES Cn1c(=O)n(C2CC2)c2nc(N)c(cc2c1=O)C(N)=O Show InChI InChI=1S/C12H13N5O3/c1-16-11(19)7-4-6(9(14)18)8(13)15-10(7)17(12(16)20)5-2-3-5/h4-5H,2-3H2,1H3,(H2,13,15)(H2,14,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+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 human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintilla...				Bioorg Med Chem 22: 4910-6 (2014) Article DOI: 10.1016/j.bmc.2014.06.050 BindingDB Entry DOI: 10.7270/Q2XD139S
					More data for this Ligand-Target Pair
Eukaryotic elongation factor 2 kinase (Homo sapiens (Human))	BDBM50053640 (CHEMBL3327223) Show SMILES NC(=O)c1cc2c(nc1N)n(C1CC1)c(=O)[nH]c2=O Show InChI InChI=1S/C11H11N5O3/c12-7-5(8(13)17)3-6-9(14-7)16(4-1-2-4)11(19)15-10(6)18/h3-4H,1-2H2,(H2,12,14)(H2,13,17)(H,15,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+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 human recombinant eEF-2K expressed in bacteria pre-incubated for 30 mins before adding peptide substrate and [gamma32P]ATP by scintilla...				Bioorg Med Chem 22: 4910-6 (2014) Article DOI: 10.1016/j.bmc.2014.06.050 BindingDB Entry DOI: 10.7270/Q2XD139S
					More data for this Ligand-Target Pair

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