Compile Data Set for Download or QSAR

Found 3308 hits with Last Name = 'gardner' and Initial = 'm'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 wild type EGFR (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 EGFR deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434810 (CHEMBL2386970) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C1CN(CCO)C1 Show InChI InChI=1S/C25H30N8O2/c1-16(2)33-25(27-17(3)29-33)22-15-31-7-9-35-23-10-18(4-5-21(23)24(31)28-22)19-11-26-32(12-19)20-13-30(14-20)6-8-34/h4-5,10-12,15-16,20,34H,6-9,13-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin)				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434807 (CHEMBL2387079) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CC(C)(C)O)c1 Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-22(24-14-26-30)19-12-28-7-8-32-20-9-16(5-6-18(20)21(28)27-19)17-10-25-29(11-17)13-23(3,4)31/h5-6,9-12,14-15,31H,7-8,13H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434812 (CHEMBL2387086) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCO)c1 Show InChI InChI=1S/C21H23N7O2/c1-14(2)28-21(22-13-24-28)18-12-26-6-8-30-19-9-15(3-4-17(19)20(26)25-18)16-10-23-27(11-16)5-7-29/h3-4,9-14,29H,5-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141636 (CHEMBL3758502) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N7O/c1-18(2)14-12(9-26-18)16(22-15(21-14)10-7-19-20-8-10)23-17-11-5-3-4-6-13(11)24-25-17/h3-8H,9H2,1-2H3,(H,19,20)(H2,21,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434814 (CHEMBL2387082) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1 Show InChI InChI=1S/C21H23N7O/c1-13(2)28-21(23-14(3)25-28)18-12-27-7-8-29-19-9-15(16-10-22-26(4)11-16)5-6-17(19)20(27)24-18/h5-6,9-13H,7-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434808 (CHEMBL2386972) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCN2CCOCC2)c1 Show InChI InChI=1S/C26H32N8O2/c1-18(2)34-26(28-19(3)30-34)23-17-32-10-13-36-24-14-20(4-5-22(24)25(32)29-23)21-15-27-33(16-21)7-6-31-8-11-35-12-9-31/h4-5,14-18H,6-13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434817 (CHEMBL2387081) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cn[nH]c1 Show InChI InChI=1S/C19H19N7O/c1-12(2)26-19(20-11-23-26)16-10-25-5-6-27-17-7-13(14-8-21-22-9-14)3-4-15(17)18(25)24-16/h3-4,7-12H,5-6H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434809 (CHEMBL2386971) Show SMILES C[C@H](O)C(=O)N1CC(C1)n1cc(cn1)-c1ccc2-c3nc(cn3CCOc2c1)-c1nc(C)nn1C(C)C |r| Show InChI InChI=1S/C26H30N8O3/c1-15(2)34-25(28-17(4)30-34)22-14-31-7-8-37-23-9-18(5-6-21(23)24(31)29-22)19-10-27-33(11-19)20-12-32(13-20)26(36)16(3)35/h5-6,9-11,14-16,20,35H,7-8,12-13H2,1-4H3/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	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434813 (CHEMBL2387083) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(CCO)c1 Show InChI InChI=1S/C22H25N7O2/c1-14(2)29-22(24-15(3)26-29)19-13-27-7-9-31-20-10-16(4-5-18(20)21(27)25-19)17-11-23-28(12-17)6-8-30/h4-5,10-14,30H,6-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141902 (CHEMBL3758602) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16ClN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141610 (CHEMBL3759096) Show SMILES Cn1nccc1-c1nc2c(COC2(C)C)c(Nc2n[nH]c3ccccc23)n1 Show InChI InChI=1S/C19H19N7O/c1-19(2)15-12(10-27-19)16(23-18(21-15)14-8-9-20-26(14)3)22-17-11-6-4-5-7-13(11)24-25-17/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	<0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141610 (CHEMBL3759096) Show SMILES Cn1nccc1-c1nc2c(COC2(C)C)c(Nc2n[nH]c3ccccc23)n1 Show InChI InChI=1S/C19H19N7O/c1-19(2)15-12(10-27-19)16(23-18(21-15)14-8-9-20-26(14)3)22-17-11-6-4-5-7-13(11)24-25-17/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	<0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141636 (CHEMBL3758502) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N7O/c1-18(2)14-12(9-26-18)16(22-15(21-14)10-7-19-20-8-10)23-17-11-5-3-4-6-13(11)24-25-17/h3-8H,9H2,1-2H3,(H,19,20)(H2,21,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141636 (CHEMBL3758502) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N7O/c1-18(2)14-12(9-26-18)16(22-15(21-14)10-7-19-20-8-10)23-17-11-5-3-4-6-13(11)24-25-17/h3-8H,9H2,1-2H3,(H,19,20)(H2,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
N-alpha-acetyltransferase 40 (Homo sapiens)	BDBM50581153 (CHEMBL5081275) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human NatD using various concentration of human H4 peptide and fixed [14C]acetyl-CoA as substrate measured after 13 mins ra...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00141 BindingDB Entry DOI: 10.7270/Q2XK8KFR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50434806 (2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-y...) Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O Show InChI InChI=1S/C24H28N8O2/c1-14(2)32-22(27-15(3)29-32)19-13-30-8-9-34-20-10-16(6-7-18(20)21(30)28-19)17-11-26-31(12-17)24(4,5)23(25)33/h6-7,10-14H,8-9H2,1-5H3,(H2,25,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin)				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434811 (CHEMBL2387087) Show SMILES OCCn1cc(cn1)-c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F Show InChI InChI=1S/C20H18F3N7O2/c21-20(22,23)11-30-19(24-12-26-30)16-10-28-4-6-32-17-7-13(1-2-15(17)18(28)27-16)14-8-25-29(9-14)3-5-31/h1-2,7-10,12,31H,3-6,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
N-alpha-acetyltransferase 40 (Homo sapiens)	BDBM50581153 (CHEMBL5081275) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NatD using H4-8 peptide substrate at Km value and AcCoA by Morrison's quadratic equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00141 BindingDB Entry DOI: 10.7270/Q2XK8KFR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141610 (CHEMBL3759096) Show SMILES Cn1nccc1-c1nc2c(COC2(C)C)c(Nc2n[nH]c3ccccc23)n1 Show InChI InChI=1S/C19H19N7O/c1-19(2)15-12(10-27-19)16(23-18(21-15)14-8-9-20-26(14)3)22-17-11-6-4-5-7-13(11)24-25-17/h4-9H,10H2,1-3H3,(H2,21,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141902 (CHEMBL3758602) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16ClN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141902 (CHEMBL3758602) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16ClN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141902 (CHEMBL3758602) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16ClN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141636 (CHEMBL3758502) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N7O/c1-18(2)14-12(9-26-18)16(22-15(21-14)10-7-19-20-8-10)23-17-11-5-3-4-6-13(11)24-25-17/h3-8H,9H2,1-2H3,(H,19,20)(H2,21,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141611 (CHEMBL3758739) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F Show InChI InChI=1S/C19H16ClF2N7O/c1-19(2)14-10(7-30-19)17(25-16(24-14)9-6-23-27-13(9)15(21)22)26-18-8-4-3-5-11(20)12(8)28-29-18/h3-6,15H,7H2,1-2H3,(H,23,27)(H2,24,25,26,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141902 (CHEMBL3758602) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16ClN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141667 (CHEMBL3759499) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2cc(F)ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16FN7O/c1-18(2)14-12(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-11-4-3-10(19)5-13(11)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141636 (CHEMBL3758502) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H17N7O/c1-18(2)14-12(9-26-18)16(22-15(21-14)10-7-19-20-8-10)23-17-11-5-3-4-6-13(11)24-25-17/h3-8H,9H2,1-2H3,(H,19,20)(H2,21,22,23,24,25)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
N-alpha-acetyltransferase 40 (Homo sapiens)	BDBM50581149 (CHEMBL5077025) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NatD using H4-8 peptide substrate at Km value and AcCoA by Morrison's quadratic equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00141 BindingDB Entry DOI: 10.7270/Q2XK8KFR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50214523 ((R)-10-hydroxymethyl-6-methyl-5,6,6a,7-tetrahydro-...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(CO)c(O)c-31 Show InChI InChI=1S/C18H19NO2/c1-19-8-7-11-3-2-4-14-16(11)15(19)9-12-5-6-13(10-20)18(21)17(12)14/h2-6,15,20-21H,7-10H2,1H3/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor				Bioorg Med Chem Lett 17: 4128-30 (2007) Article DOI: 10.1016/j.bmcl.2007.05.057 BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141611 (CHEMBL3758739) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F Show InChI InChI=1S/C19H16ClF2N7O/c1-19(2)14-10(7-30-19)17(25-16(24-14)9-6-23-27-13(9)15(21)22)26-18-8-4-3-5-11(20)12(8)28-29-18/h3-6,15H,7H2,1-2H3,(H,23,27)(H2,24,25,26,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/deletion (746 to 750 residues) mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50434815 (CHEMBL2387085) Show SMILES Cc1nc(-c2cn3CCOc4cc(ccc4-c3n2)-c2cnn(CCO)c2)n(C)n1 Show InChI InChI=1S/C20H21N7O2/c1-13-22-20(25(2)24-13)17-12-26-6-8-29-18-9-14(3-4-16(18)19(26)23-17)15-10-21-27(11-15)5-7-28/h3-4,9-12,28H,5-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate formation after 30 mins by fluorescence polarization assay				J Med Chem 56: 4597-610 (2013) Article DOI: 10.1021/jm4003632 BindingDB Entry DOI: 10.7270/Q24F1S5G
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141665 (CHEMBL3759615) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(F)cccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16FN7O/c1-18(2)14-11(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-10-4-3-5-12(19)13(10)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141611 (CHEMBL3758739) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F Show InChI InChI=1S/C19H16ClF2N7O/c1-19(2)14-10(7-30-19)17(25-16(24-14)9-6-23-27-13(9)15(21)22)26-18-8-4-3-5-11(20)12(8)28-29-18/h3-6,15H,7H2,1-2H3,(H,23,27)(H2,24,25,26,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50029668 (AZD-9291 | Osimertinib | US10085983, Compound AZD-...) Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-alpha-acetyltransferase 40 (Homo sapiens)	BDBM50581154 (CHEMBL5090533) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NatD using H4-8 peptide substrate at Km value and AcCoA by Morrison's quadratic equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00141 BindingDB Entry DOI: 10.7270/Q2XK8KFR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50142028 (CHEMBL3758700) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)c(F)ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H15ClFN7O/c1-18(2)14-10(7-28-18)16(24-15(23-14)8-5-21-22-6-8)25-17-9-3-4-11(20)12(19)13(9)26-27-17/h3-6H,7H2,1-2H3,(H,21,22)(H2,23,24,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
N-alpha-acetyltransferase 40 (Homo sapiens)	BDBM50581152 (CHEMBL5093444) Show SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NatD using H4-8 peptide substrate at Km value and AcCoA by Morrison's quadratic equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00141 BindingDB Entry DOI: 10.7270/Q2XK8KFR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50142036 (CHEMBL3759135) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccccc12)-c1cscn1 Show InChI InChI=1S/C18H16N6OS/c1-18(2)14-11(7-25-18)15(22-17(20-14)13-8-26-9-19-13)21-16-10-5-3-4-6-12(10)23-24-16/h3-6,8-9H,7H2,1-2H3,(H2,20,21,22,23,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
N-alpha-acetyltransferase 40 (Homo sapiens)	BDBM50581150 (CHEMBL5075935) Show SMILES C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human NatD using H4-8 peptide substrate at Km value and AcCoA by Morrison's quadratic equation analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00141 BindingDB Entry DOI: 10.7270/Q2XK8KFR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141611 (CHEMBL3758739) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2c(Cl)cccc12)-c1cn[nH]c1C(F)F Show InChI InChI=1S/C19H16ClF2N7O/c1-19(2)14-10(7-30-19)17(25-16(24-14)9-6-23-27-13(9)15(21)22)26-18-8-4-3-5-11(20)12(8)28-29-18/h3-6,15H,7H2,1-2H3,(H,23,27)(H2,24,25,26,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H4 receptor by functional assay				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50141668 (CHEMBL3758283) Show SMILES CC1(C)OCc2c1nc(nc2Nc1n[nH]c2ccc(F)cc12)-c1cn[nH]c1 Show InChI InChI=1S/C18H16FN7O/c1-18(2)14-12(8-27-18)16(23-15(22-14)9-6-20-21-7-9)24-17-11-5-10(19)3-4-13(11)25-26-17/h3-7H,8H2,1-2H3,(H,20,21)(H2,22,23,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin)				Bioorg Med Chem Lett 26: 534-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.078 BindingDB Entry DOI: 10.7270/Q2HH6MZQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22566 (5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...) Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique				Bioorg Med Chem Lett 21: 6591-5 (2011) Article DOI: 10.1016/j.bmcl.2011.07.114 BindingDB Entry DOI: 10.7270/Q2DF6RNQ
					More data for this Ligand-Target Pair

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