Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50040961   

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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50334268 (CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402931 (CHEMBL2205628) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(Cl)ccc2n1 Show InChI InChI=1S/C18H18ClN3O/c1-18(2,3)13-6-4-12(5-7-13)17(23)21-15-11-22-10-14(19)8-9-16(22)20-15/h4-11H,1-3H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402926 (CHEMBL2205633) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1cccnc1 Show InChI InChI=1S/C23H22N4O/c1-23(2,3)19-9-6-16(7-10-19)22(28)26-20-15-27-14-18(8-11-21(27)25-20)17-5-4-12-24-13-17/h4-15H,1-3H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402930 (CHEMBL2205629) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(Br)ccc2n1 Show InChI InChI=1S/C18H18BrN3O/c1-18(2,3)13-6-4-12(5-7-13)17(23)21-15-11-22-10-14(19)8-9-16(22)20-15/h4-11H,1-3H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402933 (CHEMBL2205626) Show SMILES Cc1ccc2nc(NC(=O)c3ccc(cc3)C(C)(C)C)cn2c1 Show InChI InChI=1S/C19H21N3O/c1-13-5-10-17-20-16(12-22(17)11-13)21-18(23)14-6-8-15(9-7-14)19(2,3)4/h5-12H,1-4H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402925 (CHEMBL2205634) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1cccc1 Show InChI InChI=1S/C22H22N4O/c1-22(2,3)17-8-6-16(7-9-17)21(27)24-19-15-26-14-18(10-11-20(26)23-19)25-12-4-5-13-25/h4-15H,1-3H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402924 (CHEMBL2205635) Show SMILES CC(C)(CO)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O2/c1-21(2,13-27)16-5-3-15(4-6-16)20(28)24-18-12-26-11-17(7-8-19(26)23-18)25-10-9-22-14-25/h3-12,14,27H,13H2,1-2H3,(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402932 (CHEMBL2205627) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(F)ccc2n1 Show InChI InChI=1S/C18H18FN3O/c1-18(2,3)13-6-4-12(5-7-13)17(23)21-15-11-22-10-14(19)8-9-16(22)20-15/h4-11H,1-3H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402923 (CHEMBL2205636) Show SMILES CC(C)(O)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C20H19N5O2/c1-20(2,27)15-5-3-14(4-6-15)19(26)23-17-12-25-11-16(7-8-18(25)22-17)24-10-9-21-13-24/h3-13,27H,1-2H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402927 (CHEMBL2205632) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccccc1 Show InChI InChI=1S/C24H23N3O/c1-24(2,3)20-12-9-18(10-13-20)23(28)26-21-16-27-15-19(11-14-22(27)25-21)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402929 (CHEMBL2205630) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(CO)ccc2n1 Show InChI InChI=1S/C19H21N3O2/c1-19(2,3)15-7-5-14(6-8-15)18(24)21-16-11-22-10-13(12-23)4-9-17(22)20-16/h4-11,23H,12H2,1-3H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402934 (CHEMBL2205625) Show SMILES Cc1ccc2nc(NC(=O)c3ccc(cc3)C(C)(C)C)sc2c1 Show InChI InChI=1S/C19H20N2OS/c1-12-5-10-15-16(11-12)23-18(20-15)21-17(22)13-6-8-14(9-7-13)19(2,3)4/h5-11H,1-4H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50402928 (CHEMBL2205631) Show SMILES CNCc1ccc2nc(NC(=O)c3ccc(cc3)C(C)(C)C)cn2c1 Show InChI InChI=1S/C20H24N4O/c1-20(2,3)16-8-6-15(7-9-16)19(25)23-17-13-24-12-14(11-21-4)5-10-18(24)22-17/h5-10,12-13,21H,11H2,1-4H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...				Bioorg Med Chem Lett 22: 7326-9 (2012) Article DOI: 10.1016/j.bmcl.2012.10.084 BindingDB Entry DOI: 10.7270/Q2M32WXV
					More data for this Ligand-Target Pair