Compile Data Set for Download or QSAR

Found 4218 hits with Last Name = 'jones' and Initial = 'g'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	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	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50149477 (CHEMBL3770993 | US10851091, U.S. Pat. No. 8,242,10...) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay				J Med Chem 59: 985-1002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01483 BindingDB Entry DOI: 10.7270/Q2QF8VRV
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433530 (CHEMBL2381382) Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1 Show InChI InChI=1S/C21H23N7O2S/c1-12(2)28-19(25-21(22)26-28)20-24-18-15-4-3-13(14-10-23-27(11-14)6-7-29)9-16(15)30-8-5-17(18)31-20/h3-4,9-12,29H,5-8H2,1-2H3,(H2,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433533 (CHEMBL2381376) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCN)c2)s1 Show InChI InChI=1S/C21H23N7OS/c1-13(2)28-20(23-12-25-28)21-26-19-16-4-3-14(15-10-24-27(11-15)7-6-22)9-17(16)29-8-5-18(19)30-21/h3-4,9-13H,5-8,22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433534 (CHEMBL2381375) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CS(C)(=O)=O)c2)s1 Show InChI InChI=1S/C21H22N6O3S2/c1-13(2)27-20(22-11-24-27)21-25-19-16-5-4-14(8-17(16)30-7-6-18(19)31-21)15-9-23-26(10-15)12-32(3,28)29/h4-5,8-11,13H,6-7,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					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	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					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 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50149482 (CHEMBL3770709) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ncc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C20H24N8O2/c1-12(2)28-20(23-11-24-28)14-10-26-6-7-30-16-8-17(22-9-13(16)19(26)25-14)27-5-3-4-15(27)18(21)29/h8-12,15H,3-7H2,1-2H3,(H2,21,29)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay				J Med Chem 59: 985-1002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01483 BindingDB Entry DOI: 10.7270/Q2QF8VRV
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50571467 (CHEMBL4850755) Show SMILES O=c1cc(nc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r| Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00114 BindingDB Entry DOI: 10.7270/Q2F76HB1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50149553 (CHEMBL3770306) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CC[C@H]1C(N)=O |r| Show InChI InChI=1S/C20H23N7O2/c1-12(2)27-20(22-11-23-27)15-10-25-7-8-29-17-9-13(3-4-14(17)19(25)24-15)26-6-5-16(26)18(21)28/h3-4,9-12,16H,5-8H2,1-2H3,(H2,21,28)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay				J Med Chem 59: 985-1002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01483 BindingDB Entry DOI: 10.7270/Q2QF8VRV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503795 (3-(4-Ethylpyridin-3-yl)-N6-(1-piperidin-4- yl-1H-p...) Show SMILES CCc1ccncc1-c1cc2cc(Nc3cnn(c3)C3CCNCC3)ncc2c(N)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433532 (CHEMBL2381377) Show SMILES CC(C)n1ncnc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(c2)C(C)(C)C(N)=O)s1 Show InChI InChI=1S/C23H25N7O2S/c1-13(2)30-20(25-12-27-30)21-28-19-16-6-5-14(9-17(16)32-8-7-18(19)33-21)15-10-26-29(11-15)23(3,4)22(24)31/h5-6,9-13H,7-8H2,1-4H3,(H2,24,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504038 ((1S,2S)—N-[8-amino-6-(2,6-difluorophenyl)-2,7...) Show SMILES Cn1cc(cn1)[C@H]1C[C@@H]1C(=O)Nc1cc2cc(nc(N)c2cn1)-c1c(F)cccc1F |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504003 (US11034692, Compound 267 | trans-N-(8-amino-6-(5-f...) Show SMILES Cc1ccc(F)cc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504060 (US11034692, Compound 328) Show SMILES C[C@@H]1[C@@H]([C@H]1c1cnn(C)c1)C(=O)Nc1cc2cc(nc(N)c2cn1)-c1cnccc1C |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504006 ((1R,2S)—N-[8-amino-5-chloro-6-(4-methylpyridi...) Show SMILES Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1Cl |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504002 (2-(4-[[8-amino-6-(4-methylpyridin-3-yl)- 2,7-napht...) Show SMILES Cc1ccncc1-c1cc2cc(Nc3cnn(c3)C(C)(C)CO)ncc2c(N)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433529 (CHEMBL2381380) Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CC(C)(C)O)c2)s1 Show InChI InChI=1S/C23H27N7O2S/c1-13(2)30-20(27-22(24)28-30)21-26-19-16-6-5-14(9-17(16)32-8-7-18(19)33-21)15-10-25-29(11-15)12-23(3,4)31/h5-6,9-11,13,31H,7-8,12H2,1-4H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM504000 ((4-[[8-Amino-6-(4-methylpyridin-3-yl-2,7- naphthyr...) Show SMILES Cc1ccncc1-c1cc2cc(Nc3ccc(CS(N)(=O)=O)cc3)ncc2c(N)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503874 (US11034692, Compound 157 | US11034692, Compound 19...) Show SMILES Cc1ccncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CC#N)ncc2c(N)n1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM503945 (US11034692, Compound 223 | cis-N-(8-amino-6-(3,4-d...) Show SMILES Nc1nc(cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12)-c1cncc2NCCOc12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2CV4MW8
					More data for this Ligand-Target Pair

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