Compile Data Set for Download or QSAR

Found 523 hits with Last Name = 'thorpe' and Initial = 'je'   

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
Aminopeptidase N (Homo sapiens (Human))	BDBM50435737 (PROBESTIN) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C26H38N4O6/c1-16(2)14-19(28-23(32)22(31)18(27)15-17-8-4-3-5-9-17)24(33)29-12-6-10-20(29)25(34)30-13-7-11-21(30)26(35)36/h3-5,8-9,16,18-22,31H,6-7,10-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19+,20+,21+,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Oklahoma Health Sciences Center Curated by ChEMBL					Assay Description Inhibition of aminopeptidase N (unknown origin) using L-leucine-beta-naphthylamide as substrate after 15 mins				Bioorg Med Chem Lett 23: 3561-4 (2013) Article DOI: 10.1016/j.bmcl.2013.04.031 BindingDB Entry DOI: 10.7270/Q2P270JB
					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 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	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50051308 ((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...) Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1 Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyrosine phosphorylation incubated for 60 mins prior to EGF-activation m...				Bioorg Med Chem 21: 1857-64 (2013) Article DOI: 10.1016/j.bmc.2013.01.040 BindingDB Entry DOI: 10.7270/Q2NS0W97
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022503 (CHEMBL3297900) Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022522 (CHEMBL3297899) Show SMILES CCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C17H19N3O2/c1-5-20(13-6-8-14(21-4)9-7-13)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4810 ((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...) Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA				ACS Med Chem Lett 5: 480-4 (2014) Article DOI: 10.1021/ml4004793 BindingDB Entry DOI: 10.7270/Q2H133KM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4810 ((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...) Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1 Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022541 (CHEMBL3297999) Show SMILES COc1ccc(cc1)N(C(C)C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C18H21N3O2/c1-11(2)21(14-6-8-15(22-5)9-7-14)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3	PDB MMDB NCI pathway Reactome pathway 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
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022540 (CHEMBL3297892) Show SMILES Cc1cc2c(Nc3cccc(c3)C#C)nc(C)nc2o1 Show InChI InChI=1S/C16H13N3O/c1-4-12-6-5-7-13(9-12)19-15-14-8-10(2)20-16(14)18-11(3)17-15/h1,5-9H,2-3H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway 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
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 | US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,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	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA				ACS Med Chem Lett 5: 480-4 (2014) Article DOI: 10.1021/ml4004793 BindingDB Entry DOI: 10.7270/Q2H133KM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 | US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,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	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human DHFR				Bioorg Med Chem 20: 4217-25 (2012) Article DOI: 10.1016/j.bmc.2012.05.068 BindingDB Entry DOI: 10.7270/Q25X29ZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50019928 (CHEMBL3287222) Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C22H22N4O.ClH/c1-15-24-20-17(13-16-7-5-4-6-8-16)14-23-21(20)22(25-15)26(2)18-9-11-19(27-3)12-10-18;/h4-12,14,23H,13H2,1-3H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA				ACS Med Chem Lett 5: 480-4 (2014) Article DOI: 10.1021/ml4004793 BindingDB Entry DOI: 10.7270/Q2H133KM
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 | US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,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	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 | US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,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	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022541 (CHEMBL3297999) Show SMILES COc1ccc(cc1)N(C(C)C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C18H21N3O2/c1-11(2)21(14-6-8-15(22-5)9-7-14)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022522 (CHEMBL3297899) Show SMILES CCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C17H19N3O2/c1-5-20(13-6-8-14(21-4)9-7-13)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022544 (CHEMBL3297896) Show SMILES Cc1cc2c(Nc3cccc4[nH]ccc34)nc(C)nc2o1 Show InChI InChI=1S/C16H14N4O/c1-9-8-12-15(18-10(2)19-16(12)21-9)20-14-5-3-4-13-11(14)6-7-17-13/h3-8,17H,1-2H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50019931 (CHEMBL3287219) Show SMILES Cl.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)c[nH]c23)c(OC)c1 Show InChI InChI=1S/C22H22N4O2.ClH/c1-14-24-20-16(11-15-7-5-4-6-8-15)13-23-21(20)22(25-14)26-18-10-9-17(27-2)12-19(18)28-3;/h4-10,12-13,23H,11H2,1-3H3,(H,24,25,26);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA				ACS Med Chem Lett 5: 480-4 (2014) Article DOI: 10.1021/ml4004793 BindingDB Entry DOI: 10.7270/Q2H133KM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022545 (CHEMBL3297894) Show SMILES Cc1cc2c(Nc3ccc(F)c(Cl)c3)nc(C)nc2o1 Show InChI InChI=1S/C14H11ClFN3O/c1-7-5-10-13(17-8(2)18-14(10)20-7)19-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022540 (CHEMBL3297892) Show SMILES Cc1cc2c(Nc3cccc(c3)C#C)nc(C)nc2o1 Show InChI InChI=1S/C16H13N3O/c1-4-12-6-5-7-13(9-12)19-15-14-8-10(2)20-16(14)18-11(3)17-15/h1,5-9H,2-3H3,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022503 (CHEMBL3297900) Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022547 (CHEMBL3297891) Show SMILES Cc1cc2c(Nc3cccc4ccccc34)nc(C)nc2o1 Show InChI InChI=1S/C18H15N3O/c1-11-10-15-17(19-12(2)20-18(15)22-11)21-16-9-5-7-13-6-3-4-8-14(13)16/h3-10H,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii DHFR				Bioorg Med Chem 20: 4217-25 (2012) Article DOI: 10.1016/j.bmc.2012.05.068 BindingDB Entry DOI: 10.7270/Q25X29ZH
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022504 (CHEMBL3297998) Show SMILES CCCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C19H23N3O2/c1-5-6-11-22(15-7-9-16(23-4)10-8-15)18-17-12-13(2)24-19(17)21-14(3)20-18/h7-10,12H,5-6,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50019930 (CHEMBL3287220) Show SMILES Cl.COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)c[nH]c23)cc1 Show InChI InChI=1S/C21H20N4O.ClH/c1-14-23-19-16(12-15-6-4-3-5-7-15)13-22-20(19)21(24-14)25-17-8-10-18(26-2)11-9-17;/h3-11,13,22H,12H2,1-2H3,(H,23,24,25);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA				ACS Med Chem Lett 5: 480-4 (2014) Article DOI: 10.1021/ml4004793 BindingDB Entry DOI: 10.7270/Q2H133KM
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022546 (CHEMBL3297897) Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1 Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022546 (CHEMBL3297897) Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1 Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022514 (CHEMBL3297816) Show SMILES Cc1cc2c(Nc3ccccc3)nc(C)nc2o1 Show InChI InChI=1S/C14H13N3O/c1-9-8-12-13(15-10(2)16-14(12)18-9)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway 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
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50019929 (CHEMBL3287221) Show SMILES Cl.CN(c1ccccc1)c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 Show InChI InChI=1S/C21H20N4.ClH/c1-15-23-19-17(13-16-9-5-3-6-10-16)14-22-20(19)21(24-15)25(2)18-11-7-4-8-12-18;/h3-12,14,22H,13H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA				ACS Med Chem Lett 5: 480-4 (2014) Article DOI: 10.1021/ml4004793 BindingDB Entry DOI: 10.7270/Q2H133KM
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022504 (CHEMBL3297998) Show SMILES CCCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C19H23N3O2/c1-5-6-11-22(15-7-9-16(23-4)10-8-15)18-17-12-13(2)24-19(17)21-14(3)20-18/h7-10,12H,5-6,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022545 (CHEMBL3297894) Show SMILES Cc1cc2c(Nc3ccc(F)c(Cl)c3)nc(C)nc2o1 Show InChI InChI=1S/C14H11ClFN3O/c1-7-5-10-13(17-8(2)18-14(10)20-7)19-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022546 (CHEMBL3297897) Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1 Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50022543 (CHEMBL3297893) Show SMILES Cc1cc2c(Nc3ccc(cc3)C(F)(F)F)nc(C)nc2o1 Show InChI InChI=1S/C15H12F3N3O/c1-8-7-12-13(19-9(2)20-14(12)22-8)21-11-5-3-10(4-6-11)15(16,17)18/h3-7H,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022543 (CHEMBL3297893) Show SMILES Cc1cc2c(Nc3ccc(cc3)C(F)(F)F)nc(C)nc2o1 Show InChI InChI=1S/C15H12F3N3O/c1-8-7-12-13(19-9(2)20-14(12)22-8)21-11-5-3-10(4-6-11)15(16,17)18/h3-7H,1-2H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 | US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022548 (CHEMBL3297895) Show SMILES Cc1cc2c(Nc3ccc(Cl)cc3)nc(C)nc2o1 Show InChI InChI=1S/C14H12ClN3O/c1-8-7-12-13(16-9(2)17-14(12)19-8)18-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022522 (CHEMBL3297899) Show SMILES CCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C17H19N3O2/c1-5-20(13-6-8-14(21-4)9-7-13)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022503 (CHEMBL3297900) Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50022540 (CHEMBL3297892) Show SMILES Cc1cc2c(Nc3cccc(c3)C#C)nc(C)nc2o1 Show InChI InChI=1S/C16H13N3O/c1-4-12-6-5-7-13(9-12)19-15-14-8-10(2)20-16(14)18-11(3)17-15/h1,5-9H,2-3H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022542 (CHEMBL3297898 | US10189853, Compound 1) Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022541 (CHEMBL3297999) Show SMILES COc1ccc(cc1)N(C(C)C)c1nc(C)nc2oc(C)cc12 Show InChI InChI=1S/C18H21N3O2/c1-11(2)21(14-6-8-15(22-5)9-7-14)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50008294 (2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...) Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human thymidylate synthase				Bioorg Med Chem 20: 4217-25 (2012) Article DOI: 10.1016/j.bmc.2012.05.068 BindingDB Entry DOI: 10.7270/Q25X29ZH
					More data for this Ligand-Target Pair				3D Structure (docked)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50022544 (CHEMBL3297896) Show SMILES Cc1cc2c(Nc3cccc4[nH]ccc34)nc(C)nc2o1 Show InChI InChI=1S/C16H14N4O/c1-9-8-12-15(18-10(2)19-16(12)21-9)20-14-5-3-4-13-11(14)6-7-17-13/h3-8,17H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay				Bioorg Med Chem 22: 3753-72 (2014) Article DOI: 10.1016/j.bmc.2014.04.049 BindingDB Entry DOI: 10.7270/Q20K2B45
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50360178 (CHEMBL1929556) Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4ccc(Cl)cc4F)nc(N)nc3[nH]2)c1 Show InChI InChI=1S/C21H19ClFN5O2/c1-29-14-4-6-18(30-2)11(8-14)7-13-10-15-19(25-13)27-21(24)28-20(15)26-17-5-3-12(22)9-16(17)23/h3-6,8-10H,7H2,1-2H3,(H4,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 tyrosine kinase activity in VEGF-stimulated human U251 cells after 60 mins by ELISA				Bioorg Med Chem 20: 910-4 (2012) Article DOI: 10.1016/j.bmc.2011.11.058 BindingDB Entry DOI: 10.7270/Q27W6CMN
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50318173 (CHEMBL1095762 | N4-(4-Bromo-2-chlorophenyl)-6-(2,4...) Show SMILES Nc1nc(Nc2ccc(Br)cc2Cl)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1 Show InChI InChI=1S/C19H13BrCl3N5/c20-10-2-4-16(15(23)6-10)26-18-13-8-12(25-17(13)27-19(24)28-18)5-9-1-3-11(21)7-14(9)22/h1-4,6-8H,5H2,(H4,24,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA				Bioorg Med Chem 18: 3575-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.052 BindingDB Entry DOI: 10.7270/Q2V69JRB
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM4811 ((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-stimulated PDGFRbeta phosphorylation expressed in mouse NIH/3T3 cells by chemiluminescence assay				Bioorg Med Chem 18: 3575-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.052 BindingDB Entry DOI: 10.7270/Q2V69JRB
					More data for this Ligand-Target Pair

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