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 = 'BDBM548829'   

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))	BDBM548829 (WO2022098806, Compound 2-179 | WO2022098806, Compo...) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc2c(N)c(F)c(c(Cl)c2n1)-c1cnc2OCCNc2c1C |(-9,-1.94,;-7.67,-1.17,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-3.66,-6.56,;-2.33,-5.79,;-1,-6.56,;-2.33,-4.25,;-3.66,-3.48,;-3.66,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548829 (WO2022098806, Compound 2-179 | WO2022098806, Compo...) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc2c(N)c(F)c(c(Cl)c2n1)-c1cnc2OCCNc2c1C |(-9,-1.94,;-7.67,-1.17,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-3.66,-6.56,;-2.33,-5.79,;-1,-6.56,;-2.33,-4.25,;-3.66,-3.48,;-3.66,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548829 (WO2022098806, Compound 2-179 | WO2022098806, Compo...) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc2c(N)c(F)c(c(Cl)c2n1)-c1cnc2OCCNc2c1C |(-9,-1.94,;-7.67,-1.17,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-3.66,-6.56,;-2.33,-5.79,;-1,-6.56,;-2.33,-4.25,;-3.66,-3.48,;-3.66,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	2.94	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548829 (WO2022098806, Compound 2-179 | WO2022098806, Compo...) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc2c(N)c(F)c(c(Cl)c2n1)-c1cnc2OCCNc2c1C |(-9,-1.94,;-7.67,-1.17,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-3.66,-6.56,;-2.33,-5.79,;-1,-6.56,;-2.33,-4.25,;-3.66,-3.48,;-3.66,-1.94,;-5,-1.17,;-5,.37,;-3.66,1.14,;-3.66,2.68,;-2.33,3.45,;-1,2.68,;.33,3.45,;.33,4.99,;1.67,2.68,;3,3.45,;1.67,1.14,;.33,.37,;.33,-1.17,;-1,1.14,;-2.33,.37,;3,.37,;4.33,1.14,;5.67,.37,;5.67,-1.17,;7,-1.94,;7,-3.48,;5.67,-4.25,;4.34,-3.48,;4.33,-1.94,;3,-1.17,;1.67,-1.94,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	5.77	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To each well of black Corning #3820384-well plate, an ECHO was used to dispense 7.5 nL of DMSO or Test compound in DMSO. A 1.5x kinase solution, 5 &...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0RJB
					More data for this Ligand-Target Pair