Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 1' and Ligand = 'BDBM498974'   

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 kinase 1 (Homo sapiens (Human))	BDBM498974 (US11014929, Example 14 | US11542265, Example 14) Show SMILES COc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C16H13FN6O/c1-23-8-9(6-19-23)14-15-11(21-22-14)7-18-16(20-15)13-10(17)4-3-5-12(13)24-2/h3-8H,1-2H3,(H,21,22)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibitory concentration against rat liver dihydrofolate reductase(DHFR)				Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM498974 (US11014929, Example 14 | US11542265, Example 14) Show SMILES COc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C16H13FN6O/c1-23-8-9(6-19-23)14-15-11(21-22-14)7-18-16(20-15)13-10(17)4-3-5-12(13)24-2/h3-8H,1-2H3,(H,21,22)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				US Patent US11014929 (2021) BindingDB Entry DOI: 10.7270/Q2B56NVS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM498974 (US11014929, Example 14 | US11542265, Example 14) Show SMILES COc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C16H13FN6O/c1-23-8-9(6-19-23)14-15-11(21-22-14)7-18-16(20-15)13-10(17)4-3-5-12(13)24-2/h3-8H,1-2H3,(H,21,22)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2WD44FT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM498974 (US11014929, Example 14 | US11542265, Example 14) Show SMILES COc1cccc(F)c1-c1ncc2[nH]nc(-c3cnn(C)c3)c2n1 Show InChI InChI=1S/C16H13FN6O/c1-23-8-9(6-19-23)14-15-11(21-22-14)7-18-16(20-15)13-10(17)4-3-5-12(13)24-2/h3-8H,1-2H3,(H,21,22)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibitory concentration against rat liver dihydrofolate reductase				Citation and Details
					More data for this Ligand-Target Pair