Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 11' AND taxid = 10090   

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 11 (Mus musculus)	BDBM50441571 (CHEMBL2436982 | US10485800, Example 18 | US9814704...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1 Show InChI InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Mus musculus)	BDBM50441569 (CHEMBL2436981 | US10485800, Example 4 | US9814704,...) Show SMILES Nc1ccc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1 Show InChI InChI=1S/C20H15N5/c21-19-4-2-14(9-23-19)15-8-16-17(11-25-20(16)24-10-15)12-1-3-18-13(7-12)5-6-22-18/h1-11,22H,(H2,21,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Mus musculus)	BDBM50441567 (CHEMBL2436978 | US10485800, Example 181) Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Mus musculus)	BDBM50441568 (CHEMBL2436983 | US10485800, Example 9 | US9814704,...) Show SMILES Nc1ncc(cn1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1 Show InChI InChI=1S/C19H14N6/c20-19-24-8-14(9-25-19)13-6-15-16(10-23-18(15)22-7-13)11-1-2-17-12(5-11)3-4-21-17/h1-10,21H,(H,22,23)(H2,20,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Mus musculus)	BDBM50441570 (CHEMBL2436976 | US10485800, Example 17 | US9814704...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3cnc(N)nc3)c2c1 Show InChI InChI=1S/C20H19N5O3/c1-26-16-5-11(6-17(27-2)18(16)28-3)12-4-14-15(10-23-19(14)22-7-12)13-8-24-20(21)25-9-13/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Mus musculus)	BDBM356235 (BDBM50441572 | US10485800, Example 1 | US9814704, ...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1 Show InChI InChI=1S/C24H21N3O3/c1-28-21-10-16(11-22(29-2)23(21)30-3)17-9-18-19(13-27-24(18)26-12-17)14-4-5-20-15(8-14)6-7-25-20/h4-13,25H,1-3H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Mus musculus)	BDBM50441573 (CHEMBL2436979 | US10485800, Example 40 | US9814704...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]c(=O)n(-c3ccc4[nH]ccc4c3)c2n1 Show InChI InChI=1S/C22H19N5O4/c1-29-17-9-13(10-18(30-2)19(17)31-3)16-11-24-20-21(25-16)27(22(28)26-20)14-4-5-15-12(8-14)6-7-23-15/h4-11,23H,1-3H3,(H,24,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Califia Bio Inc. Curated by ChEMBL					Assay Description Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA				J Med Chem 56: 8032-48 (2013) Article DOI: 10.1021/jm401094t BindingDB Entry DOI: 10.7270/Q2P270KS
					More data for this Ligand-Target Pair