Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'vanbrocklin' and Initial = 'h'   

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))	BDBM50095261 ((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3556 (4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095273 ((6,7-Diethoxy-quinazolin-4-yl)-(3-iodo-phenyl)-ami...) Show SMILES CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC Show InChI InChI=1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3532 (CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3533 (CHEMBL1204305 | CHEMBL96065 | N-(3-iodophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC Show InChI InChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095261 ((3-Chloro-phenyl)-(6,7-diethoxy-quinazolin-4-yl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC Show InChI InChI=1S/C18H18ClN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3532 (CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.26	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3556 (4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095273 ((6,7-Diethoxy-quinazolin-4-yl)-(3-iodo-phenyl)-ami...) Show SMILES CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC Show InChI InChI=1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3531 (CHEMBL541586 | CHEMBL94431 | N-(3-fluorophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3533 (CHEMBL1204305 | CHEMBL96065 | N-(3-iodophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC Show InChI InChI=1S/C16H14IN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095277 ((6,7-Diethoxy-quinazolin-4-yl)-(3-fluoro-phenyl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OCC Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370935 (CHEMBL1203937) Show SMILES CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC Show InChI InChI=1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095277 ((6,7-Diethoxy-quinazolin-4-yl)-(3-fluoro-phenyl)-a...) Show SMILES CCOc1cc2ncnc(Nc3cccc(F)c3)c2cc1OCC Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.17	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370943 (CHEMBL1203935) Show SMILES CCOc1cc2ncnc(Nc3cc(F)cc(c3)C(F)(F)F)c2cc1OCC Show InChI InChI=1S/C19H17F4N3O2/c1-3-27-16-8-14-15(9-17(16)28-4-2)24-10-25-18(14)26-13-6-11(19(21,22)23)5-12(20)7-13/h5-10H,3-4H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.95	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370938 (CHEMBL1203939) Show SMILES CCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCC Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-12-15(10-17(16)24-4-2)20-11-21-18(12)22-14-8-6-5-7-13(14)19/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.31	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50177114 (CHEMBL1203938 | CHEMBL374810 | cid_1474879) Show SMILES COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC Show InChI InChI=1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4619 (Anilinoquinazoline deriv. 2 | CHEMBL1204360 | CHEM...) Show SMILES COc1cc2ncnc(Nc3ccccc3F)c2cc1OC Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-10-13(8-15(14)22-2)18-9-19-16(10)20-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.8	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370938 (CHEMBL1203939) Show SMILES CCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCC Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-12-15(10-17(16)24-4-2)20-11-21-18(12)22-14-8-6-5-7-13(14)19/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370934 (CHEMBL1203940) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCC Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-12(19)6-8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370935 (CHEMBL1203937) Show SMILES CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC Show InChI InChI=1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370944 (CHEMBL1203934) Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OC Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370942 (CHEMBL1203936) Show SMILES COc1cc2ncnc(Nc3cc(F)cc(c3)C(F)(F)F)c2cc1OC Show InChI InChI=1S/C17H13F4N3O2/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11/h3-8H,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.1	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370942 (CHEMBL1203936) Show SMILES COc1cc2ncnc(Nc3cc(F)cc(c3)C(F)(F)F)c2cc1OC Show InChI InChI=1S/C17H13F4N3O2/c1-25-14-6-12-13(7-15(14)26-2)22-8-23-16(12)24-11-4-9(17(19,20)21)3-10(18)5-11/h3-8H,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370934 (CHEMBL1203940) Show SMILES CCOc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OCC Show InChI InChI=1S/C18H18FN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-12(19)6-8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.1	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3531 (CHEMBL541586 | CHEMBL94431 | N-(3-fluorophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31.9	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4619 (Anilinoquinazoline deriv. 2 | CHEMBL1204360 | CHEM...) Show SMILES COc1cc2ncnc(Nc3ccccc3F)c2cc1OC Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-10-13(8-15(14)22-2)18-9-19-16(10)20-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32.2	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50177114 (CHEMBL1203938 | CHEMBL374810 | cid_1474879) Show SMILES COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC Show InChI InChI=1S/C17H16FN3O2/c1-22-15-7-13-14(8-16(15)23-2)20-10-21-17(13)19-9-11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47.7	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370943 (CHEMBL1203935) Show SMILES CCOc1cc2ncnc(Nc3cc(F)cc(c3)C(F)(F)F)c2cc1OCC Show InChI InChI=1S/C19H17F4N3O2/c1-3-27-16-8-14-15(9-17(16)28-4-2)24-10-25-18(14)26-13-6-11(19(21,22)23)5-12(20)7-13/h5-10H,3-4H2,1-2H3,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>50	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM3556 (4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50370944 (CHEMBL1203934) Show SMILES COc1cc2ncnc(Nc3ccc(F)cc3)c2cc1OC Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyrosine kinase in human A431 cell membranes				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50095273 ((6,7-Diethoxy-quinazolin-4-yl)-(3-iodo-phenyl)-ami...) Show SMILES CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC Show InChI InChI=1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50095273 ((6,7-Diethoxy-quinazolin-4-yl)-(3-iodo-phenyl)-ami...) Show SMILES CCOc1cc2ncnc(Nc3cccc(I)c3)c2cc1OCC Show InChI InChI=1S/C18H18IN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50370935 (CHEMBL1203937) Show SMILES CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC Show InChI InChI=1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB4 tyrosine kinase phosphorylation expressed in human CEM/4 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM3032 (CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...) Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM3556 (4-[(3-Bromophenyl)amino]-6,7-diethoxyquinazoline |...) Show SMILES CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC Show InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50370935 (CHEMBL1203937) Show SMILES CCOc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OCC Show InChI InChI=1S/C19H20FN3O2/c1-3-24-17-9-15-16(10-18(17)25-4-2)22-12-23-19(15)21-11-13-5-7-14(20)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
Lawrence Berkeley National Laboratory Curated by ChEMBL					Assay Description Inhibition of human ErbB2 tyrosine kinase phosphorylation expressed in mouse BaF3 cells				J Med Chem 48: 7445-56 (2005) Article DOI: 10.1021/jm050607w BindingDB Entry DOI: 10.7270/Q26D5TT6
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088185 (CHEMBL3427435) Show SMILES OC(=O)CC[C@H](NP(O)(=O)OCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C28H40FN4O14P/c29-18-9-7-17(8-10-18)25(38)30-15-3-1-2-6-22(34)32-20(27(41)42)11-13-23(35)31-19(26(39)40)5-4-16-47-48(45,46)33-21(28(43)44)12-14-24(36)37/h7-10,19-21H,1-6,11-16H2,(H,30,38)(H,31,35)(H,32,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,33,45,46)/t19-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088192 (CHEMBL3427442) Show SMILES OC(=O)CC[C@H](NP(O)(=O)O[C@@H]1C[C@H](N(C1)C(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C28H38FN4O14P/c29-17-7-5-16(6-8-17)25(38)30-13-3-1-2-4-22(34)31-19(26(39)40)9-11-23(35)33-15-18(14-21(33)28(43)44)47-48(45,46)32-20(27(41)42)10-12-24(36)37/h5-8,18-21H,1-4,9-15H2,(H,30,38)(H,31,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,32,45,46)/t18-,19+,20+,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088182 (CHEMBL3427434) Show SMILES OC(=O)CC[C@H](NP(O)(=O)OCCC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H29FN3O13P/c23-13-5-3-12(4-6-13)19(30)25-15(21(33)34)7-9-17(27)24-14(20(31)32)2-1-11-39-40(37,38)26-16(22(35)36)8-10-18(28)29/h3-6,14-16H,1-2,7-11H2,(H,24,27)(H,25,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)(H2,26,37,38)/t14-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088190 (CHEMBL3427440) Show SMILES OC(=O)CC[C@H](NP(O)(=O)O[C@@H]1C[C@H](N(C1)C(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H27FN3O13P/c23-12-3-1-11(2-4-12)19(30)24-14(20(31)32)5-7-17(27)26-10-13(9-16(26)22(35)36)39-40(37,38)25-15(21(33)34)6-8-18(28)29/h1-4,13-16H,5-10H2,(H,24,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)(H2,25,37,38)/t13-,14+,15+,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088191 (CHEMBL3427441) Show SMILES OC(=O)CC[C@H](NP(O)(=O)O[C@H]1C[C@@H](N(C1)C(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H27FN3O13P/c23-12-3-1-11(2-4-12)19(30)24-14(20(31)32)5-7-17(27)26-10-13(9-16(26)22(35)36)39-40(37,38)25-15(21(33)34)6-8-18(28)29/h1-4,13-16H,5-10H2,(H,24,30)(H,28,29)(H,31,32)(H,33,34)(H,35,36)(H2,25,37,38)/t13-,14-,15-,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088193 (CHEMBL3427443) Show SMILES OC(=O)CC[C@H](NP(O)(=O)O[C@H]1C[C@@H](N(C1)C(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(F)cc1)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C28H38FN4O14P/c29-17-7-5-16(6-8-17)25(38)30-13-3-1-2-4-22(34)31-19(26(39)40)9-11-23(35)33-15-18(14-21(33)28(43)44)47-48(45,46)32-20(27(41)42)10-12-24(36)37/h5-8,18-21H,1-4,9-15H2,(H,30,38)(H,31,34)(H,36,37)(H,39,40)(H,41,42)(H,43,44)(H2,32,45,46)/t18-,19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088183 (CHEMBL3427433) Show SMILES NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H37N4O13P/c22-11-3-1-2-6-16(26)24-14(20(32)33)7-9-17(27)23-13(19(30)31)5-4-12-38-39(36,37)25-15(21(34)35)8-10-18(28)29/h13-15H,1-12,22H2,(H,23,27)(H,24,26)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,25,36,37)/t13-,14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088184 (CHEMBL3427432) Show SMILES N[C@@H](CCC(=O)N[C@@H](CCCOP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H26N3O12P/c16-8(13(22)23)3-5-11(19)17-9(14(24)25)2-1-7-30-31(28,29)18-10(15(26)27)4-6-12(20)21/h8-10H,1-7,16H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H2,18,28,29)/t8-,9-,10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088186 (CHEMBL3427436) Show SMILES N[C@@H](CCC(=O)N1C[C@@H](C[C@H]1C(O)=O)OP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H24N3O12P/c16-8(13(22)23)1-3-11(19)18-6-7(5-10(18)15(26)27)30-31(28,29)17-9(14(24)25)2-4-12(20)21/h7-10H,1-6,16H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H2,17,28,29)/t7-,8+,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50088188 (CHEMBL3427438) Show SMILES NCCCCCC(=O)N[C@@H](CCC(=O)N1C[C@@H](C[C@H]1C(O)=O)OP(O)(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H35N4O13P/c22-9-3-1-2-4-16(26)23-13(19(30)31)5-7-17(27)25-11-12(10-15(25)21(34)35)38-39(36,37)24-14(20(32)33)6-8-18(28)29/h12-15H,1-11,22H2,(H,23,26)(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,24,36,37)/t12-,13+,14+,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of PSMA (unknown origin) incubated for 15 mins using PABGgG substrate by HPLC method				Bioorg Med Chem Lett 25: 2536-9 (2015) Article DOI: 10.1016/j.bmcl.2015.04.047 BindingDB Entry DOI: 10.7270/Q29G5PJK
					More data for this Ligand-Target Pair

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