Compile Data Set for Download or QSAR

Found 8144 hits of ic50 data for polymerid = 50004052   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50569664 (CHEMBL4859451) Show SMILES COc1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50598494 (CHEMBL5171022) Show SMILES Cc1ccncc1-c1cc2cc(NC(=O)C=C3CC(C3)C#N)ncc2c(N)n1 |(5.62,-3.46,;6.96,-2.69,;8.29,-3.46,;9.62,-2.69,;9.62,-1.15,;8.29,-.38,;6.96,-1.15,;5.62,-.38,;4.29,-1.16,;2.96,-.38,;1.63,-1.15,;.29,-.39,;-1.04,-1.16,;-2.37,-.39,;-2.37,1.15,;-3.71,-1.16,;-5.04,-.39,;-6.55,-.79,;-6.95,.69,;-5.44,1.1,;-8.29,1.46,;-9.62,2.23,;.29,1.16,;1.63,1.93,;2.96,1.16,;4.29,1.92,;4.29,3.46,;5.62,1.15,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00172 BindingDB Entry DOI: 10.7270/Q29G5RT0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548828 (WO2022098806, Compound 2-89) Show SMILES CCS(=O)(=O)Cc1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)c(OC)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0100	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))	BDBM529791 (US11203591, Example 198) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCOCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;2.53,-7.94,;5.2,-7.94,;5.2,-9.48,;4.67,-10.92,;3.68,-9.74,;6.71,-9.74,;7.7,-8.56,;7.24,-11.19,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.19,-4.43,;-3.11,-5.66,;-4.65,-5.72,;-5.65,-4.54,;-5.36,-3.03,;-4,-2.32,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548859 (WO2022098806, Compound 2-120) Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc4CCCNCc4c3)ncc2c(N)c1F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0100	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))	BDBM548847 (WO2022098806, Compound 2-108) Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1 |(-1,-6.56,;-2.33,-5.79,;-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,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-6.5,-6.11,;-5.47,-7.25,;-3.66,-6.56,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0100	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))	BDBM548834 (WO2022098806, Compound 2-180 | WO2022098806, Compo...) Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)cc2C1 |(-1,-6.56,;-2.33,-5.79,;-3.66,-6.56,;-5,-5.79,;-5,-4.25,;-6.33,-3.47,;-6.33,-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,;-3.66,-1.94,;-3.66,-3.48,;-2.33,-4.25,)| 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))	BDBM548817 (WO2022098806, Compound 2-78) Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2C1=O 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))	BDBM548823 (WO2022098806, Compound 2-84) Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(CS(C)(=O)=O)nc3)ncc2c(N)c1F 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	0.0200	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))	BDBM548850 (WO2022098806, Compound 2-111) Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(c(Br)c4n3)-c3cnc4OCCNc4c3C)ccc2C2(CC2)C1 |(-1,-6.56,;-2.33,-5.79,;-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,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-6.5,-6.11,;-5.47,-7.25,;-3.66,-6.56,)| 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))	BDBM548860 (WO2022098806, Compound 2-121) Show SMILES CN1C2CCC1c1cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc21 |TLB:0:1:35.6:3.4| 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))	BDBM548727 (WO2022098806, Compound 1-123) Show SMILES Cc1c2NCCOc2ncc1-c1ccc2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c1 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))	BDBM529832 (US11203591, Example 238) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(ccc3F)C(=O)NC3(CC3)C(F)F)c12)-c1ccc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;12.93,1.3,;12.93,-.24,;11.59,-1.01,;10.26,-.24,;10.26,1.3,;8.93,2.07,;14.26,-1.01,;14.26,-2.55,;15.59,-.24,;16.93,-1.01,;16.4,-2.45,;17.92,-2.19,;17.92,.17,;17.39,1.62,;19.43,-.09,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569663 (CHEMBL4870155) Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(C)(F)F)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548897 (WO2022098806, Compound 2-158) Show SMILES CN1CCc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM548863 (WO2022098806, Compound 2-124 | WO2022098806, Compo...) Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3Cl)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM548914 (WO2022098806, Compound 2-175) Show SMILES CC(C)N1CCc2ncc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM548846 (WO2022098806, Compound 2-107 | WO2022098806, Compo...) Show SMILES CN1CCc2cc(F)c(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)cc2C1 |(-1,-6.56,;-2.33,-5.79,;-3.66,-6.56,;-5,-5.79,;-5,-4.25,;-6.33,-3.47,;-6.33,-1.94,;-7.67,-1.17,;-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,;-3.66,-1.94,;-3.66,-3.48,;-2.33,-4.25,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM548815 (WO2022098806, Compound 2-76) Show SMILES CC(C)N1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM548818 (WO2022098806, Compound 2-79) Show SMILES CN1CC2CC1c1cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc21 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM529862 (US11203591, Example 268) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(C)c(F)c3F)c12)-c1ccc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;12.93,1.3,;12.93,-.24,;14.26,-1.01,;15.59,-.24,;14.26,-2.55,;15.59,-3.32,;15.59,-4.86,;16.93,-5.63,;14.26,-5.63,;11.59,-1.01,;11.59,-2.55,;10.26,-.24,;8.93,-1.01,;10.26,1.3,;8.93,2.07,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548821 (WO2022098806, Compound 2-82) Show SMILES CNC(=O)C1(CCC1)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM548824 (WO2022098806, Compound 2-85) Show SMILES C[C@H]1Cc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2CN1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM548867 (WO2022098806, Compound 2-128) Show SMILES CN1Cc2cc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc2CC1(C)C Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	WIPO WO2022098806	n/a	n/a	0.0300	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))	BDBM50569665 (CHEMBL4864568) Show SMILES COCc1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50569667 (CHEMBL4848845) Show SMILES CO[C@@H](C)c1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00096 BindingDB Entry DOI: 10.7270/Q2B2802B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548909 (WO2022098806, Compound 2-170) Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(cc3)S(C)=O)ncc2c(N)c1F 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))	BDBM509018 (US11071730, Example 125) Show SMILES CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N(C1CC(C1)N1CC3CCC(C3)C1)C(=O)C21CCN(CC1)C(=O)C1CCO1 |(10.16,-3.43,;8.64,-3.66,;8.07,-5.09,;7.68,-2.45,;8.1,-.97,;6.81,-.11,;5.61,-1.07,;4.09,-.81,;3.11,-2,;3.64,-3.44,;5.16,-3.7,;5.7,-5.14,;4.72,-6.33,;5.25,-7.77,;4.27,-8.96,;2.75,-8.7,;2.22,-7.26,;3.2,-6.07,;2.66,-4.63,;6.14,-2.51,;1.59,-1.74,;.61,-2.93,;-.91,-2.67,;-1.45,-1.23,;-.47,-.04,;1.05,-.3,;-1.29,1.26,;-.72,2.69,;-1.33,4.1,;.08,4.72,;.69,3.3,;.65,6.15,;-.26,7.39,;.37,8.8,;.53,7.27,;1.54,6.87,;2.8,7.71,;1.9,8.96,;2.18,6.31,;-2.78,.88,;-3.97,1.86,;-2.88,-.66,;-2.82,-2.2,;-4.12,-3.02,;-5.48,-2.31,;-5.54,-.77,;-4.24,.05,;-6.78,-3.13,;-6.72,-4.67,;-8.15,-2.42,;-9.65,-2.74,;-10.3,-1.17,;-8.77,-1.01,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Recombinant HPK1 kinase domain produced via baculovirus infection of insect cells was obtained from Proteros (Proteros Biostructures #PR-0322) and wa...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RR22CJ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548820 (WO2022098806, Compound 2-81) Show SMILES CNC(=O)C1(CC1)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1 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))	BDBM548822 (WO2022098806, Compound 2-83) Show SMILES CNC(=O)C1(CCCC1)c1ccc(Nc2ncc3c(N)c(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1 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))	BDBM548825 (WO2022098806, Compound 2-86) Show SMILES C[C@@H]1Cc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2CN1C |r| 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	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))	BDBM548830 (WO2022098806, Compound 2-91 | WO2022098806, Compou...) Show SMILES Cc1c2NCCOc2ncc1-c1c(F)c(N)c2cnc(Nc3ccc(CS(C)(=O)=O)cc3)nc2c1Cl |(1.67,-1.94,;3,-1.17,;4.33,-1.94,;4.34,-3.48,;5.67,-4.25,;7,-3.48,;7,-1.94,;5.67,-1.17,;5.67,.37,;4.33,1.14,;3,.37,;1.67,1.14,;1.67,2.68,;3,3.45,;.33,3.45,;.33,4.99,;-1,2.68,;-2.33,3.45,;-3.66,2.68,;-3.66,1.14,;-5,.37,;-5,-1.17,;-6.33,-1.94,;-6.33,-3.47,;-5,-4.25,;-5,-5.79,;-3.66,-6.56,;-2.33,-5.79,;-3.66,-8.1,;-3.66,-5.02,;-3.66,-3.48,;-3.66,-1.94,;-2.33,.37,;-1,1.14,;.33,.37,;.33,-1.17,)| 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))	BDBM548835 (WO2022098806, Compound 2-102 | WO2022098806, Compo...) Show SMILES CC(C)N1CCc2ccc(Nc3ncc4c(N)c(F)c(c(Cl)c4n3)-c3cnc4OCCNc4c3C)cc2C1 |(-1,-8.1,;-1,-6.56,;.34,-5.79,;-2.33,-5.79,;-3.66,-6.56,;-5,-5.79,;-5,-4.25,;-6.33,-3.47,;-6.33,-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,;-3.66,-1.94,;-3.66,-3.48,;-2.33,-4.25,)| 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))	BDBM548856 (WO2022098806, Compound 2-117) Show SMILES CN1CCCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1 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))	BDBM548858 (WO2022098806, Compound 2-119) Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2CC1 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))	BDBM548763 (WO2022098806, Compound 2-114 | WO2022098806, Compo...) Show SMILES Cc1c2NCCOc2ncc1-c1cc2nc(Nc3ccc(CS(C)(=O)=O)cc3)ncc2c(N)c1F 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))	BDBM548878 (WO2022098806, Compound 2-139) Show SMILES CN1CCc2ccc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cncc4[nH]ccc34)cc2C1 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))	BDBM548728 (WO2022098806, Compound 1-124) Show SMILES C[C@@H](c1ccc(Nc2ncc3cc(F)c(cc3n2)-c2cnc3OCCNc3c2C)cc1)S(C)(=O)=O |r| 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))	BDBM548738 (WO2022098806, Compound 1-134) Show SMILES CCS(=O)(=O)Cc1ccc(Nc2ncc3ccc(cc3n2)-c2cnc3OCCNc3c2C)cc1 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))	BDBM529840 (US11203591, Example 246) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(C)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C1)N1CCCCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;2.53,-7.94,;5.2,-7.94,;6.53,-7.17,;6,-5.72,;7.52,-5.99,;7.52,-8.35,;6.99,-9.79,;9.04,-8.08,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-2.12,-.57,;-1.89,-3.4,;-.86,-4.55,;-1.34,-6.01,;-2.84,-6.33,;-3.87,-5.19,;-3.4,-3.72,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM529843 (US11203591, Example 249) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CF)CC4)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCCCC1)C(=O)C2(C)C |(-2.25,5.87,;-.74,5.55,;.29,6.7,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;7.87,4.38,;9.2,6.69,;10.53,5.92,;11.52,7.1,;11,8.55,;11.52,4.74,;10.01,4.48,;6.53,8.23,;7.87,9,;5.2,9,;5.2,10.54,;3.86,8.23,;2.53,9,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;5.82,-3.66,;4.28,-3.74,;4.36,-5.28,;2.83,-5.36,;5.9,-5.2,;4.44,-6.81,;5.87,-7.41,;6.29,-8.89,;5.39,-10.14,;3.85,-10.22,;2.83,-9.07,;3.09,-7.55,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM529845 (US11203591, Example 251) Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N(C(=O)C3(C)C)C2(CC(C)C2)N2CCC3CC3C2)c(F)c(F)c1Cl |(11.87,6.69,;10.53,5.92,;9.2,6.69,;7.87,5.92,;7.87,4.38,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,;5.82,-3.66,;6.97,-4.69,;5.94,-5.83,;6.02,-7.37,;4.79,-4.8,;4.68,-2.63,;5,-1.12,;3.85,-.09,;2.39,-.57,;.92,-1.04,;2.07,-2.07,;3.21,-3.1,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM529868 (US11203591, Example 274) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(F)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;5.2,-7.94,;2.53,-7.94,;2.53,-9.48,;1.2,-10.25,;1.2,-11.79,;-.14,-9.48,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.31,-4.45,;-3.48,-5.45,;-4.93,-4.94,;-5.21,-3.43,;-4.04,-2.43,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548722 (WO2022098806, Compound 1-118) Show SMILES CNC(=O)[C@@H]1CCc2cc(Nc3ncc4cc(F)c(cc4n3)-c3cnc4OCCNc4c3C)ccc12 |r| 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))	BDBM529833 (US11203591, Example 239) Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N(C2CC(C)(C2)N2CCCCC2)C(=O)C3(C)C)c(F)c(F)c1C |(5.2,4.38,;6.53,3.61,;7.87,4.38,;7.87,5.92,;9.2,6.69,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;7.87,-.24,;7.87,1.3,;6.53,2.07,;9.33,1.78,;9.81,3.24,;9.11,4.62,;10.48,5.31,;10.12,6.81,;11.18,3.94,;11.65,6.31,;11.37,7.83,;12.54,8.83,;13.99,8.32,;14.27,6.8,;13.1,5.8,;10.23,.53,;11.77,.53,;9.33,-.71,;8.7,-2.12,;10.66,-1.48,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM529602 (US11203591, Example 17) Show SMILES Cc1ccc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCC[C@@H](F)C2)C(=O)C3(C)C)cc1C(N)=O |r,wU:25.28,27.33,33.38,(-1.71,-4.45,;-.37,-3.68,;-.37,-2.14,;.96,-1.37,;2.29,-2.14,;3.63,-1.37,;3.63,.17,;2.29,.94,;2.29,2.48,;3.63,3.25,;4.96,2.48,;6.43,2.96,;7.33,1.71,;6.43,.47,;6.83,-1.02,;6.43,-2.51,;7.91,-2.11,;4.96,.94,;.96,3.25,;.96,4.79,;-.37,5.56,;-1.71,4.79,;-1.71,3.25,;-.37,2.48,;-3.17,2.78,;-3.57,1.29,;-2.8,-.04,;-4.13,-.81,;-4.9,.52,;-4.53,-2.3,;-3.42,-3.4,;-3.82,-4.91,;-5.33,-5.31,;-6.43,-4.2,;-7.91,-4.6,;-6.02,-2.7,;-4.08,4.02,;-5.62,4.02,;-3.17,5.27,;-4.26,6.36,;-2.77,6.76,;2.29,-3.68,;.96,-4.45,;.96,-5.99,;2.29,-6.76,;-.37,-6.76,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM548922 (WO2022098806, Compound 2-183) Show SMILES CN1CCc2ncc(Nc3ncc4c(N)c(F)c(cc4n3)-c3cnc4OCCNc4c3C)cc2C1 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))	BDBM50598492 (CHEMBL5205694) Show SMILES C[C@H]1CC(=O)c2ccc(Nc3cc4c(cnc(OC5CC5)c4cn3)[C@](C)(N)C3CC3)cc2C11CC1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00172 BindingDB Entry DOI: 10.7270/Q29G5RT0
					More data for this Ligand-Target Pair

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