Compile Data Set for Download or QSAR

Found 723 hits with Last Name = 'zavoronkovs' and Initial = 'a'   

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
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613868 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.29	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613838 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.96	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613838 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1ccncc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613765 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(OC)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.33	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613877 (4-(4-(5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imida...) Show SMILES C[NH+]1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(F)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM608272 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES CN1C=C(NC(=O)C2CCCCC2C(=O)c2ccc(cc2F)-c2cc(C)n[nH]2)C(C(N)=O)=[N]1C |w:12.13,5.6,c:34,t:2| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.07	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613790 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ccc(o1)C(=O)Nc1cc(F)ccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.82	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613839 (US11739078, Compound 104 | US11739078, Compound A-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cccc(n1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613795 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613837 (3'-cyclopentyl-N-(2-fluorophenyl)-5'-(4-fluorophen...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc([nH]1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613839 (US11739078, Compound 104 | US11739078, Compound A-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1cccc(n1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613837 (3'-cyclopentyl-N-(2-fluorophenyl)-5'-(4-fluorophen...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCCC2)c1-c1ncc([nH]1)C(=O)Nc1ccccc1F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.02	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613765 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(OC)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.05	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613867 (5-(4-(4-fluorophenyl)-1-(tetrahydrofuran-3-yl)-1H-...) Show SMILES COc1cnccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCOC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.21	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613795 (5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...) Show SMILES COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.46	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM613886 (US11739078, Compound A-62 | US11739078, Compound A...) Show SMILES O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.72	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM613741 (US11739078, Compound 27 | US11739078, Compound B-2...) Show SMILES COC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.11	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent									US Patent US11001589 (2021) BindingDB Entry DOI: 10.7270/Q2N30228
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585261 (US11530197, Compound 190) Show SMILES CC1CN(CC(C)N1C)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585249 (US11530197, Compound 121) Show SMILES CC(C)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585279 (US11530197, Compound 137) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(CCC(O)=O)cc1)-c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585261 (US11530197, Compound 190) Show SMILES CC1CN(CC(C)N1C)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2CC(F)(F)F)-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585275 (US11530197, Compound 113) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)C(O)=O)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585279 (US11530197, Compound 137) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(CCC(O)=O)cc1)-c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585239 (US11530197, Compound 175) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2ncn(C(F)F)c2-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585240 (US11530197, Compound 128) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM585240 (US11530197, Compound 128) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activit...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585241 (US11530197, Compound 186) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CC2CCC(C1)N2C)-c1ccc(F)cc1 |TLB:19:22:29:25.26,30:29:25.26:22.28.23| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM585241 (US11530197, Compound 186) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CC2CCC(C1)N2C)-c1ccc(F)cc1 |TLB:19:22:29:25.26,30:29:25.26:22.28.23| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activit...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585242 (US11530197, Compound 131) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCC(O)=O)cc1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585243 (US11530197, Compound 127) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM585243 (US11530197, Compound 127) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activit...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585244 (US11530197, Compound 125) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCO)cc1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM585244 (US11530197, Compound 125) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCO)cc1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activit...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585245 (US11530197, Compound 188) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(C)=O)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585246 (US11530197, Compound 159) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2[C@H]2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wU:27.30,wD:24.26,(-10.31,-.25,;-8.77,-.25,;-8,-1.58,;-6.46,-1.58,;-5.69,-.25,;-6.46,1.09,;-8,1.09,;-4.15,-.25,;-3.38,-1.58,;-1.84,-1.58,;-1.07,-.25,;.47,-.25,;1.24,1.09,;.47,2.42,;2.78,1.09,;3.68,2.33,;5.15,1.86,;5.15,.32,;3.68,-.16,;6.39,-.59,;7.86,-.11,;8.76,-1.36,;7.86,-2.6,;6.39,-2.13,;5.15,-3.03,;3.74,-2.41,;2.49,-3.31,;2.65,-4.84,;1.41,-5.75,;4.06,-5.47,;5.31,-4.56,;8.33,1.35,;9.84,1.67,;10.31,3.14,;9.28,4.28,;9.76,5.75,;7.78,3.96,;7.3,2.5,;-1.84,1.09,;-3.38,1.09,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585247 (US11530197, Compound 158) Show SMILES OCCN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wD:29.32,(-11.47,1.09,;-9.93,1.09,;-9.16,-.25,;-7.62,-.25,;-6.85,-1.58,;-5.31,-1.58,;-4.54,-.25,;-5.31,1.09,;-6.85,1.09,;-3,-.25,;-2.23,-1.58,;-.69,-1.58,;.08,-.25,;1.62,-.25,;2.39,1.09,;1.62,2.42,;3.93,1.09,;4.84,2.33,;6.3,1.86,;6.3,.32,;4.84,-.16,;7.55,-.59,;9.01,-.11,;9.92,-1.36,;9.01,-2.6,;7.55,-2.13,;6.3,-3.03,;6.46,-4.56,;5.22,-5.47,;3.81,-4.84,;2.56,-5.75,;3.65,-3.31,;4.89,-2.41,;9.49,1.35,;10.99,1.67,;11.47,3.14,;10.44,4.28,;10.91,5.75,;8.93,3.96,;8.46,2.5,;-.69,1.09,;-2.23,1.09,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585249 (US11530197, Compound 121) Show SMILES CC(C)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...				Citation and Details BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585239 (US11530197, Compound 175) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2ncn(C(F)F)c2-c2ccc(F)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585240 (US11530197, Compound 128) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM585240 (US11530197, Compound 128) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(CCO)CC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585241 (US11530197, Compound 186) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CC2CCC(C1)N2C)-c1ccc(F)cc1 |TLB:19:22:29:25.26,30:29:25.26:22.28.23| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM585241 (US11530197, Compound 186) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CC2CCC(C1)N2C)-c1ccc(F)cc1 |TLB:19:22:29:25.26,30:29:25.26:22.28.23| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585242 (US11530197, Compound 131) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCC(O)=O)cc1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585243 (US11530197, Compound 127) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM585243 (US11530197, Compound 127) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585244 (US11530197, Compound 125) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCO)cc1)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4 (Homo sapiens (Human))	BDBM585244 (US11530197, Compound 125) Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCO)cc1)-c1ccc(F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585245 (US11530197, Compound 188) Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(C)=O)-c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585246 (US11530197, Compound 159) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2[C@H]2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wU:27.30,wD:24.26,(-10.31,-.25,;-8.77,-.25,;-8,-1.58,;-6.46,-1.58,;-5.69,-.25,;-6.46,1.09,;-8,1.09,;-4.15,-.25,;-3.38,-1.58,;-1.84,-1.58,;-1.07,-.25,;.47,-.25,;1.24,1.09,;.47,2.42,;2.78,1.09,;3.68,2.33,;5.15,1.86,;5.15,.32,;3.68,-.16,;6.39,-.59,;7.86,-.11,;8.76,-1.36,;7.86,-2.6,;6.39,-2.13,;5.15,-3.03,;3.74,-2.41,;2.49,-3.31,;2.65,-4.84,;1.41,-5.75,;4.06,-5.47,;5.31,-4.56,;8.33,1.35,;9.84,1.67,;10.31,3.14,;9.28,4.28,;9.76,5.75,;7.78,3.96,;7.3,2.5,;-1.84,1.09,;-3.38,1.09,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (Homo sapiens (Human))	BDBM585247 (US11530197, Compound 158) Show SMILES OCCN1CCN(CC1)c1ccc(NC(=O)c2c[nH]c(n2)-c2c(ncn2C2CC[C@H](O)CC2)-c2ccc(F)cc2)cc1 |r,wD:29.32,(-11.47,1.09,;-9.93,1.09,;-9.16,-.25,;-7.62,-.25,;-6.85,-1.58,;-5.31,-1.58,;-4.54,-.25,;-5.31,1.09,;-6.85,1.09,;-3,-.25,;-2.23,-1.58,;-.69,-1.58,;.08,-.25,;1.62,-.25,;2.39,1.09,;1.62,2.42,;3.93,1.09,;4.84,2.33,;6.3,1.86,;6.3,.32,;4.84,-.16,;7.55,-.59,;9.01,-.11,;9.92,-1.36,;9.01,-2.6,;7.55,-2.13,;6.3,-3.03,;6.46,-4.56,;5.22,-5.47,;3.81,-4.84,;2.56,-5.75,;3.65,-3.31,;4.89,-2.41,;9.49,1.35,;10.99,1.67,;11.47,3.14,;10.44,4.28,;10.91,5.75,;8.93,3.96,;8.46,2.5,;-.69,1.09,;-2.23,1.09,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...				Citation and Details BindingDB Entry DOI: 10.7270/Q270858G
					More data for this Ligand-Target Pair

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