Compile Data Set for Download or QSAR

Found 5973 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 1'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503914 ((1S,2S)-N-(8-amino-5-fluoro-6-(4- methylpyridin-3-...) Show SMILES Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cn[nH]c3)cc2c1F Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503879 (1-[3-[4-[[8-amino-6-(4-methyl-3-pyridyl)- 2,7-naph...) Show SMILES CC(=O)N1CC(C1)n1cc(Nc2cc3cc(nc(N)c3cn2)-c2cnccc2C)cn1 Show InChI InChI=1S/C22H22N8O/c1-13-3-4-24-8-18(13)20-5-15-6-21(25-9-19(15)22(23)28-20)27-16-7-26-30(10-16)17-11-29(12-17)14(2)31/h3-10,17H,11-12H2,1-2H3,(H2,23,28)(H,25,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503940 (1-(3-(4-(8-amino-6-(4-methylpyridin-3- yl)-2,7-nap...) Show SMILES CC(=O)N1CC[C@@H](C1)n1cc(Nc2cc3cc(nc(N)c3cn2)-c2cnccc2C)cn1 Show InChI InChI=1S/C23H24N8O/c1-14-3-5-25-10-19(14)21-7-16-8-22(26-11-20(16)23(24)29-21)28-17-9-27-31(12-17)18-4-6-30(13-18)15(2)32/h3,5,7-12,18H,4,6,13H2,1-2H3,(H2,24,29)(H,26,28)/t18-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503988 (2-[[8-amino-6-(4-methylpyridin-3-yl)-2,7- naphthyr...) Show SMILES CN1CCc2cc(Nc3cc4cc(nc(N)c4cn3)-c3cnccc3C)nn2CC1=O Show InChI InChI=1S/C22H22N8O/c1-13-3-5-24-10-16(13)18-7-14-8-19(25-11-17(14)22(23)26-18)27-20-9-15-4-6-29(2)21(31)12-30(15)28-20/h3,5,7-11H,4,6,12H2,1-2H3,(H2,23,26)(H,25,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504049 ((1R,2S)—N-(8-amino-5-cyclopropyl-6-(4-methylp...) Show SMILES Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1C1CC1 Show InChI InChI=1S/C23H22N6O/c1-12-5-7-26-10-17(12)21-20(13-2-3-13)16-9-19(27-11-18(16)22(25)29-21)28-23(30)15-8-14(15)4-6-24/h5,7,9-11,13-15H,2-4,8H2,1H3,(H2,25,29)(H,27,28,30)/t14-,15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504062 ((1R,2R)-N-(8-amino-6-(4-methylpyridin- 3-yl)-2,7-n...) Show SMILES COCCn1cc(cn1)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(nc(N)c2cn1)-c1cnccc1C Show InChI InChI=1S/C24H25N7O2/c1-14-3-4-26-11-19(14)21-7-15-8-22(27-12-20(15)23(25)29-21)30-24(32)18-9-17(18)16-10-28-31(13-16)5-6-33-2/h3-4,7-8,10-13,17-18H,5-6,9H2,1-2H3,(H2,25,29)(H,27,30,32)/t17-,18+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504051 ((1S,2S)—N-(8-amino-6-(4-methyl-2-phenylpyridi...) Show SMILES Cc1ccnc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1 Show InChI InChI=1S/C28H25N7O/c1-16-8-9-30-26(17-6-4-3-5-7-17)25(16)23-10-18-11-24(31-14-22(18)27(29)33-23)34-28(36)21-12-20(21)19-13-32-35(2)15-19/h3-11,13-15,20-21H,12H2,1-2H3,(H2,29,33)(H,31,34,36)/t20-,21+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504044 (US11034692, Compound 313) Show SMILES Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@]33CCNC(=O)C3)ncc2c(N)n1 Show InChI InChI=1S/C22H22N6O2/c1-12-2-4-24-10-14(12)17-6-13-7-18(26-11-15(13)20(23)27-17)28-21(30)16-8-22(16)3-5-25-19(29)9-22/h2,4,6-7,10-11,16H,3,5,8-9H2,1H3,(H2,23,27)(H,25,29)(H,26,28,30)/t16-,22+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503863 (US11034692, Compound 146 | trans-N-[8-amino-6-(4-m...) Show SMILES CCS(=O)(=O)n1cc(cn1)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(nc(N)c2cn1)-c1cnccc1C Show InChI InChI=1S/C23H23N7O3S/c1-3-34(32,33)30-12-15(9-27-30)16-8-17(16)23(31)29-21-7-14-6-20(18-10-25-5-4-13(18)2)28-22(24)19(14)11-26-21/h4-7,9-12,16-17H,3,8H2,1-2H3,(H2,24,28)(H,26,29,31)/t16-,17+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503999 (3-[[8-Amino-6-(4-methylpyridin-3-yl)-2,7- naphthyr...) Show SMILES CNC(=O)c1cc(Nc2cc3cc(nc(N)c3cn2)-c2cnccc2C)nn1C Show InChI InChI=1S/C20H20N8O/c1-11-4-5-23-9-13(11)15-6-12-7-17(24-10-14(12)19(21)25-15)26-18-8-16(20(29)22-2)28(3)27-18/h4-10H,1-3H3,(H2,21,25)(H,22,29)(H,24,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503978 (US11034692, Compound 247) Show SMILES Cc1c(N)cncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CC#N)ncc2c(N)n1 Show InChI InChI=1S/C20H19N7O/c1-10-14(7-24-9-16(10)22)17-5-12-6-18(25-8-15(12)19(23)26-17)27-20(28)13-4-11(13)2-3-21/h5-9,11,13H,2,4,22H2,1H3,(H2,23,26)(H,25,27,28)/t11-,13-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504027 ((1S,2S)—N-[8-amino-6-(2,6-dichlorophenyl)-2,7...) Show SMILES NCCOCCn1cc(cn1)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(nc(N)c2cn1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H25Cl2N7O2/c26-19-2-1-3-20(27)23(19)21-8-14-9-22(30-12-18(14)24(29)32-21)33-25(35)17-10-16(17)15-11-31-34(13-15)5-7-36-6-4-28/h1-3,8-9,11-13,16-17H,4-7,10,28H2,(H2,29,32)(H,30,33,35)/t16-,17+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503943 (1-(3-(8-amino-6-(4-methylpyridin-3-yl)- 2,7-naphth...) Show SMILES C[C@@H](O)c1cc(Nc2cc3cc(nc(N)c3cn2)-c2cnccc2C)nn1C Show InChI InChI=1S/C20H21N7O/c1-11-4-5-22-9-14(11)16-6-13-7-18(23-10-15(13)20(21)24-16)25-19-8-17(12(2)28)27(3)26-19/h4-10,12,28H,1-3H3,(H2,21,24)(H,23,25,26)/t12-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503916 ((1S,2S)-N-(8-amino-6-(4-methylpyridin-3- yl)-2,7-n...) Show SMILES Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1 Show InChI InChI=1S/C22H21N7O/c1-12-3-4-24-9-17(12)19-5-13-6-20(25-10-18(13)21(23)27-19)28-22(30)16-7-15(16)14-8-26-29(2)11-14/h3-6,8-11,15-16H,7H2,1-2H3,(H2,23,27)(H,25,28,30)/t15-,16+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504034 ((1R,2R)—N-(8-amino-6-(2-chloro-6-fluorophenyl...) Show SMILES Cn1cc(cn1)[C@H]1C[C@@H]1C(=O)Nc1cc2cc(nc(N)c2cn1)-c1c(F)cccc1Cl Show InChI InChI=1S/C22H18ClFN6O/c1-30-10-12(8-27-30)13-7-14(13)22(31)29-19-6-11-5-18(28-21(25)15(11)9-26-19)20-16(23)3-2-4-17(20)24/h2-6,8-10,13-14H,7H2,1H3,(H2,25,28)(H,26,29,31)/t13-,14+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504050 (US11034692, Compound 318) Show SMILES Cc1ccnc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1 Show InChI InChI=1S/C28H25N7O/c1-16-8-9-30-26(17-6-4-3-5-7-17)25(16)23-10-18-11-24(31-14-22(18)27(29)33-23)34-28(36)21-12-20(21)19-13-32-35(2)15-19/h3-11,13-15,20-21H,12H2,1-2H3,(H2,29,33)(H,31,34,36)/t20-,21+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504030 ((1R,2R)—N-[8-amino-6-(2-methylphenyl)-2,7-nap...) Show SMILES Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1 Show InChI InChI=1S/C23H22N6O/c1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15/h3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30)/t17-,18+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503936 (US11034692, Compound 214) Show SMILES Cn1cc(cn1)[C@@H]1C[C@H]1C(=O)Nc1cc2cc(nc(N)c2cn1)-c1cnccc1CCO Show InChI InChI=1S/C23H23N7O2/c1-30-12-15(9-27-30)16-8-17(16)23(32)29-21-7-14-6-20(28-22(24)19(14)11-26-21)18-10-25-4-2-13(18)3-5-31/h2,4,6-7,9-12,16-17,31H,3,5,8H2,1H3,(H2,24,28)(H,26,29,32)/t16-,17+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519706 (US11142525, Example 107) Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N2CCC[C@H]2C)C1=O Show InChI InChI=1S/C23H28N8O/c1-14(2)31-13-25-28-22(31)18-7-4-8-20(26-18)30-12-17-16(23(30)32)10-21(27-19(17)11-24)29-9-5-6-15(29)3/h4,7-8,10,13-15H,5-6,9,11-12,24H2,1-3H3/t15-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504023 (US11034692, Compound 292) Show SMILES Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1 Show InChI InChI=1S/C25H28N8O2/c1-15-2-4-28-12-20(15)22-8-16-9-23(29-13-21(16)24(27)31-22)32-25(34)19-10-18(19)17-11-30-33(14-17)5-7-35-6-3-26/h2,4,8-9,11-14,18-19H,3,5-7,10,26H2,1H3,(H2,27,31)(H,29,32,34)/t18-,19+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503977 ((1S,2S)—N-(8-amino-6-(4-(2-hydroxyethyl)pyrid...) Show SMILES Nc1nc(cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnsc3)ncc12)-c1cnccc1CCO Show InChI InChI=1S/C22H20N6O2S/c23-21-18-10-25-20(28-22(30)16-7-15(16)14-8-26-31-11-14)6-13(18)5-19(27-21)17-9-24-3-1-12(17)2-4-29/h1,3,5-6,8-11,15-16,29H,2,4,7H2,(H2,23,27)(H,25,28,30)/t15-,16+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503892 (US11034692, Compound 173 | trans-N-(8-amino-5-chlo...) Show SMILES Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)cc2c1Cl Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519590 (US11142525, Example 6 | US11142525, Example 79) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1C(C)C)N(C)C(C)C Show InChI InChI=1S/C23H30N8O/c1-14(2)29(6)21-10-16-17(19(27-21)11-24-5)12-30(23(16)32)20-9-7-8-18(26-20)22-28-25-13-31(22)15(3)4/h7-10,13-15,24H,11-12H2,1-6H3	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519699 (US11142525, Example 100) Show SMILES CC(C)N(C)c1cc2C(=O)N(Cc2c(CN)n1)c1cccc(n1)N1[C@@H](C)COC1=O Show InChI InChI=1S/C21H26N6O3/c1-12(2)25(4)19-8-14-15(16(9-22)23-19)10-26(20(14)28)17-6-5-7-18(24-17)27-13(3)11-30-21(27)29/h5-8,12-13H,9-11,22H2,1-4H3/t13-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519743 (US11142525, Example 144) Show SMILES CCC(CC)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N2CCC[C@H]2C)C1=O Show InChI InChI=1S/C26H34N8O/c1-5-18(6-2)34-16-28-31-25(34)21-10-7-11-23(29-21)33-15-20-19(26(33)35)13-24(30-22(20)14-27-4)32-12-8-9-17(32)3/h7,10-11,13,16-18,27H,5-6,8-9,12,14-15H2,1-4H3/t17-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519602 (US11142525, Example 18) Show SMILES CC[C@@H](CC(F)(F)F)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N(C)C)C1=O Show InChI InChI=1S/C23H27F3N8O/c1-5-14(10-23(24,25)26)34-13-28-31-21(34)17-7-6-8-19(29-17)33-12-16-15(22(33)35)9-20(32(3)4)30-18(16)11-27-2/h6-9,13-14,27H,5,10-12H2,1-4H3/t14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519601 (US11142525, Example 17) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1[C@@H](C)CC(F)(F)F)N(C)C Show InChI InChI=1S/C22H25F3N8O/c1-13(9-22(23,24)25)33-12-27-30-20(33)16-6-5-7-18(28-16)32-11-15-14(21(32)34)8-19(31(3)4)29-17(15)10-26-2/h5-8,12-13,26H,9-11H2,1-4H3/t13-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503926 (US11034692, Compound 206 | trans-N-(8-amino-6-(4-m...) Show SMILES Cc1ccnc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CC#N)ncc2c(N)n1 Show InChI InChI=1S/C26H22N6O/c1-15-8-10-29-24(16-5-3-2-4-6-16)23(15)21-12-18-13-22(30-14-20(18)25(28)31-21)32-26(33)19-11-17(19)7-9-27/h2-6,8,10,12-14,17,19H,7,11H2,1H3,(H2,28,31)(H,30,32,33)/t17-,19-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519653 (US11142525, Example 55) Show SMILES CCCn1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N2CCC[C@H]2C)C1=O Show InChI InChI=1S/C24H30N8O/c1-4-10-30-15-26-29-23(30)19-8-5-9-21(27-19)32-14-18-17(24(32)33)12-22(28-20(18)13-25-3)31-11-6-7-16(31)2/h5,8-9,12,15-16,25H,4,6-7,10-11,13-14H2,1-3H3/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519673 (US11142525, Example 74) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)N1[C@@H](C)COC1=O)N(C)C(C)C Show InChI InChI=1S/C22H28N6O3/c1-13(2)26(5)20-9-15-16(17(24-20)10-23-4)11-27(21(15)29)18-7-6-8-19(25-18)28-14(3)12-31-22(28)30/h6-9,13-14,23H,10-12H2,1-5H3/t14-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519708 (US11142525, Example 109) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1C(C)C)N1CCCC1(C)C Show InChI InChI=1S/C25H32N8O/c1-16(2)32-15-27-30-23(32)19-8-6-9-21(28-19)31-14-18-17(24(31)34)12-22(29-20(18)13-26-5)33-11-7-10-25(33,3)4/h6,8-9,12,15-16,26H,7,10-11,13-14H2,1-5H3	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519746 (US11142525, Example 150) Show SMILES CCC(CC)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N(C)C(C)C)C1=O Show InChI InChI=1S/C24H32N8O/c1-6-16(7-2)32-14-26-29-23(32)19-9-8-10-21(27-19)31-13-18-17(24(31)33)11-22(28-20(18)12-25)30(5)15(3)4/h8-11,14-16H,6-7,12-13,25H2,1-5H3	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519770 (US11142525, Example 173) Show SMILES CC[C@H](C)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N(C)CC)C1=O Show InChI InChI=1S/C23H30N8O/c1-6-15(3)31-14-25-28-22(31)18-9-8-10-20(26-18)30-13-17-16(23(30)32)11-21(29(5)7-2)27-19(17)12-24-4/h8-11,14-15,24H,6-7,12-13H2,1-5H3/t15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503939 (2-(4-(8-amino-6-(4-methylpyridin-3-yl)- 2,7-naphth...) Show SMILES CC(C#N)n1cc(Nc2cc3cc(nc(N)c3cn2)-c2cnccc2C)cn1 Show InChI InChI=1S/C20H18N8/c1-12-3-4-23-9-16(12)18-5-14-6-19(24-10-17(14)20(22)27-18)26-15-8-25-28(11-15)13(2)7-21/h3-6,8-11,13H,1-2H3,(H2,22,27)(H,24,26)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503839 (US11034692, Compound 122 | trans-N-[8-amino-6-(4-m...) Show SMILES Cc1ccncc1-c1cc2cc(NC(=O)C3C[C@@H]3c3cn[nH]c3)ncc2c(N)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504041 (US11034692, Compound 310) Show SMILES Nc1nc(cc2cc(NC(=O)[C@H]3C[C@@H]3CC#N)ncc12)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C20H15Cl2N5O/c21-14-2-1-3-15(22)18(14)16-7-11-8-17(25-9-13(11)19(24)26-16)27-20(28)12-6-10(12)4-5-23/h1-3,7-10,12H,4,6H2,(H2,24,26)(H,25,27,28)/t10-,12-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504009 ((R)-2-(4-(8-amino-6-(4-methylpyridin-3- yl)-2,7-na...) Show SMILES C[C@H](C#N)n1cc(Nc2cc3cc(nc(N)c3cn2)-c2cnccc2C)cn1 Show InChI InChI=1S/C20H18N8/c1-12-3-4-23-9-16(12)18-5-14-6-19(24-10-17(14)20(22)27-18)26-15-8-25-28(11-15)13(2)7-21/h3-6,8-11,13H,1-2H3,(H2,22,27)(H,24,26)/t13-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504032 ((1R,2R)—N-[8-amino-6-(5-cyano-2-methylphenyl)...) Show SMILES Cc1ccc(cc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1)C#N Show InChI InChI=1S/C24H21N7O/c1-13-3-4-14(9-25)5-17(13)21-6-15-7-22(27-11-20(15)23(26)29-21)30-24(32)19-8-18(19)16-10-28-31(2)12-16/h3-7,10-12,18-19H,8H2,1-2H3,(H2,26,29)(H,27,30,32)/t18-,19+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519599 (US11142525, Example 15) Show SMILES CNCc1nc(cc2C(=O)N(Cc12)c1cccc(n1)-c1nncn1[C@@H](C)CC(F)(F)F)N1CCCC1 Show InChI InChI=1S/C24H27F3N8O/c1-15(11-24(25,26)27)35-14-29-32-22(35)18-6-5-7-20(30-18)34-13-17-16(23(34)36)10-21(31-19(17)12-28-2)33-8-3-4-9-33/h5-7,10,14-15,28H,3-4,8-9,11-13H2,1-2H3/t15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519667 (US11142525, Example 68) Show SMILES C[C@@H]1CCCN1c1cc2C(=O)N(Cc2c(CN)n1)c1cccc(n1)N1[C@@H](CF)COC1=O Show InChI InChI=1S/C22H25FN6O3/c1-13-4-3-7-27(13)20-8-15-16(17(10-24)25-20)11-28(21(15)30)18-5-2-6-19(26-18)29-14(9-23)12-32-22(29)31/h2,5-6,8,13-14H,3-4,7,9-12,24H2,1H3/t13-,14+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504058 (US11034692, Compound 326) Show SMILES C[C@@H]1[C@H]([C@@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(nc(N)c2cn1)-c1cnccc1C Show InChI InChI=1S/C23H23N7O/c1-12-4-5-25-9-16(12)18-6-14-7-19(26-10-17(14)22(24)28-18)29-23(31)21-13(2)20(21)15-8-27-30(3)11-15/h4-11,13,20-21H,1-3H3,(H2,24,28)(H,26,29,31)/t13-,20-,21+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503960 ((1S,2S)—N-(8-amino-5-chloro-6-(4-methylpyridi...) Show SMILES Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1Cl Show InChI InChI=1S/C22H20ClN7O/c1-11-3-4-25-8-16(11)20-19(23)14-6-18(26-9-17(14)21(24)29-20)28-22(31)15-5-13(15)12-7-27-30(2)10-12/h3-4,6-10,13,15H,5H2,1-2H3,(H2,24,29)(H,26,28,31)/t13-,15+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504017 ((1R,2R)-N-[8-amino-6-(5-hydroxy-2- methylphenyl)-2...) Show SMILES Cc1ccc(O)cc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1 Show InChI InChI=1S/C23H22N6O2/c1-12-3-4-15(30)7-16(12)20-5-13-6-21(25-10-19(13)22(24)27-20)28-23(31)18-8-17(18)14-9-26-29(2)11-14/h3-7,9-11,17-18,30H,8H2,1-2H3,(H2,24,27)(H,25,28,31)/t17-,18+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519597 (US11142525, Example 13) Show SMILES C[C@@H](CC(F)(F)F)n1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N(C)C)C1=O Show InChI InChI=1S/C21H23F3N8O/c1-12(8-21(22,23)24)32-11-26-29-19(32)15-5-4-6-17(27-15)31-10-14-13(20(31)33)7-18(30(2)3)28-16(14)9-25/h4-7,11-12H,8-10,25H2,1-3H3/t12-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519688 (US11142525, Example 89) Show SMILES CCn1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N(C)C(C)C)C1=O Show InChI InChI=1S/C21H26N8O/c1-5-28-12-23-26-20(28)16-7-6-8-18(24-16)29-11-15-14(21(29)30)9-19(25-17(15)10-22)27(4)13(2)3/h6-9,12-13H,5,10-11,22H2,1-4H3	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503925 (US11034692, Compound 205 | trans-N-(8-amino-5-meth...) Show SMILES Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1C Show InChI InChI=1S/C21H20N6O/c1-11-4-6-24-9-16(11)19-12(2)14-8-18(25-10-17(14)20(23)27-19)26-21(28)15-7-13(15)3-5-22/h4,6,8-10,13,15H,3,7H2,1-2H3,(H2,23,27)(H,25,26,28)/t13-,15-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503985 (US11034692, Compound 253) Show SMILES Nc1nc(cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ncc12)-c1cnccc1CCO Show InChI InChI=1S/C24H22N6O2/c25-23-20-13-28-22(30-24(32)18-10-17(18)15-2-1-5-26-11-15)9-16(20)8-21(29-23)19-12-27-6-3-14(19)4-7-31/h1-3,5-6,8-9,11-13,17-18,31H,4,7,10H2,(H2,25,29)(H,28,30,32)/t17-,18+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description Lanth: For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. Th...				US Patent US11034692 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519661 (US11142525, Example 62) Show SMILES CCCn1c(C)nnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N2CCC[C@H]2C)C1=O Show InChI InChI=1S/C25H32N8O/c1-5-11-32-17(3)29-30-24(32)20-9-6-10-22(27-20)33-15-19-18(25(33)34)13-23(28-21(19)14-26-4)31-12-7-8-16(31)2/h6,9-10,13,16,26H,5,7-8,11-12,14-15H2,1-4H3/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519662 (US11142525, Example 63) Show SMILES CCCn1cnnc1-c1cccc(n1)N1Cc2c(cc(nc2CNC)N(C)C(C)C)C1=O Show InChI InChI=1S/C23H30N8O/c1-6-10-30-14-25-28-22(30)18-8-7-9-20(26-18)31-13-17-16(23(31)32)11-21(29(5)15(2)3)27-19(17)12-24-4/h7-9,11,14-15,24H,6,10,12-13H2,1-5H3	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	<0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM519595 (US11142525, Example 11) Show SMILES CC(C)c1[nH]ncc1-c1cccc(n1)N1Cc2c(cc(nc2CN)N(C)C)C1=O Show InChI InChI=1S/C21H25N7O/c1-12(2)20-14(10-23-26-20)16-6-5-7-18(24-16)28-11-15-13(21(28)29)8-19(27(3)4)25-17(15)9-22/h5-8,10,12H,9,11,22H2,1-4H3,(H,23,26)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PFIZER INC. US Patent					Assay Description HPK1 enzyme inhibition was measured using a microfluidic mobility shift assay (MSA). The reactions were conducted in 50 μL volumes in 96-well pl...				US Patent US11142525 (2021)
					More data for this Ligand-Target Pair

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