Compile Data Set for Download or QSAR

Found 210 hits with Last Name = 'devambatla' and Initial = 'rk'   

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
Apelin receptor (Homo sapiens (Human))	BDBM50571385 (CHEMBL4875417) Show SMILES Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1 |r,wU:24.26,(68.7,-35.36,;57.22,-33.55,;58.36,-34.58,;58.04,-36.08,;56.58,-36.56,;56.26,-38.07,;57.42,-39.1,;58.87,-38.62,;60.02,-39.64,;59.71,-41.15,;59.19,-37.11,;60.64,-36.64,;61.12,-35.17,;62.66,-35.17,;63.13,-36.63,;61.89,-37.54,;61.9,-39.08,;60.66,-39.99,;61.13,-41.45,;62.67,-41.45,;63.15,-39.99,;63.56,-33.92,;62.93,-32.52,;65.09,-34.08,;65.99,-32.83,;65.37,-31.43,;66.27,-30.18,;65.64,-28.77,;66.55,-27.52,;65.93,-26.12,;64.4,-25.96,;63.49,-27.2,;64.12,-28.62,;67.53,-32.99,;68.43,-31.74,;67.8,-30.34,;69.96,-31.9,;70.87,-30.66,;72.38,-30.41,;72.14,-28.89,;70.62,-29.14,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human APJ assessed as inhibition constant				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01448 BindingDB Entry DOI: 10.7270/Q2TH8RGN
					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 EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463626 (CHEMBL4245415) Show SMILES CN(C)c1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H18N4O/c1-11-9-21-16-14(11)15(17-10-18-16)20(4)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463635 (CHEMBL4242522) Show SMILES CCc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19(3)15-14-11(2)9-20-16(14)18-10-17-15/h5-10H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463628 (CHEMBL4250210) Show SMILES CNc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(17-9-18-15)19(3)12-6-4-11(16-2)5-7-12/h4-9,16H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463629 (CHEMBL4237916) Show SMILES CCCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12 Show InChI InChI=1S/C17H19N3O2/c1-4-9-20(13-5-7-14(21-3)8-6-13)16-15-12(2)10-22-17(15)19-11-18-16/h5-8,10-11H,4,9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463623 (CHEMBL4239716) Show SMILES CSc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H15N3OS/c1-10-8-19-15-13(10)14(16-9-17-15)18(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463635 (CHEMBL4242522) Show SMILES CCc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19(3)15-14-11(2)9-20-16(14)18-10-17-15/h5-10H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463632 (CHEMBL4250191) Show SMILES COc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H15N3O2/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463630 (CHEMBL4250273) Show SMILES COc1ccc(cc1)N(C(C)C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C17H19N3O2/c1-11(2)20(13-5-7-14(21-4)8-6-13)16-15-12(3)9-22-17(15)19-10-18-16/h5-11H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50005480 ((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...) Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay				Bioorg Med Chem 21: 891-902 (2013) Article DOI: 10.1016/j.bmc.2012.12.010 BindingDB Entry DOI: 10.7270/Q2XP7692
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463632 (CHEMBL4250191) Show SMILES COc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H15N3O2/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463629 (CHEMBL4237916) Show SMILES CCCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12 Show InChI InChI=1S/C17H19N3O2/c1-4-9-20(13-5-7-14(21-3)8-6-13)16-15-12(2)10-22-17(15)19-11-18-16/h5-8,10-11H,4,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					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 VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463628 (CHEMBL4250210) Show SMILES CNc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(17-9-18-15)19(3)12-6-4-11(16-2)5-7-12/h4-9,16H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463623 (CHEMBL4239716) Show SMILES CSc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H15N3OS/c1-10-8-19-15-13(10)14(16-9-17-15)18(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463632 (CHEMBL4250191) Show SMILES COc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H15N3O2/c1-10-8-20-15-13(10)14(16-9-17-15)18(2)11-4-6-12(19-3)7-5-11/h4-9H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463626 (CHEMBL4245415) Show SMILES CN(C)c1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H18N4O/c1-11-9-21-16-14(11)15(17-10-18-16)20(4)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					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 VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50444517 (CHEMBL3099582) Show SMILES Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1 Show InChI InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-14(22-18)6-3-7-15(16)26-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H4,21,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analys...				ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50444516 (CHEMBL3099580) Show SMILES Nc1nc2[nH]c3cccc(Sc4ccccc4)c3c2c(=O)[nH]1 Show InChI InChI=1S/C16H12N4OS/c17-16-19-14-13(15(21)20-16)12-10(18-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H4,17,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB 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 wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analys...				ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463630 (CHEMBL4250273) Show SMILES COc1ccc(cc1)N(C(C)C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C17H19N3O2/c1-11(2)20(13-5-7-14(21-4)8-6-13)16-15-12(3)9-22-17(15)19-10-18-16/h5-11H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50444517 (CHEMBL3099582) Show SMILES Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1 Show InChI InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-14(22-18)6-3-7-15(16)26-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H4,21,22,23,24,25)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis				ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50444517 (CHEMBL3099582) Show SMILES Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1 Show InChI InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-14(22-18)6-3-7-15(16)26-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,(H4,21,22,23,24,25)	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of human TS using dUMP and methylene-THF as substrate by kaleidagraph analysis				ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50435115 (CHEMBL2391704) Show SMILES CCOc1ccc(cc1)N(C)c1nc(N)nc2[nH]c3ccccc3c12 Show InChI InChI=1S/C19H19N5O/c1-3-25-13-10-8-12(9-11-13)24(2)18-16-14-6-4-5-7-15(14)21-17(16)22-19(20)23-18/h4-11H,3H2,1-2H3,(H3,20,21,22,23)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay				Bioorg Med Chem 21: 891-902 (2013) Article DOI: 10.1016/j.bmc.2012.12.010 BindingDB Entry DOI: 10.7270/Q2XP7692
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463635 (CHEMBL4242522) Show SMILES CCc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19(3)15-14-11(2)9-20-16(14)18-10-17-15/h5-10H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50435114 (CHEMBL2391709) Show SMILES COc1ccc(cc1)N(C)c1nc(N)nc2[nH]c3ccccc3c12 Show InChI InChI=1S/C18H17N5O/c1-23(11-7-9-12(24-2)10-8-11)17-15-13-5-3-4-6-14(13)20-16(15)21-18(19)22-17/h3-10H,1-2H3,(H3,19,20,21,22)	PDB UniProtKB/SwissProt B.MOAD 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 MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay				Bioorg Med Chem 21: 891-902 (2013) Article DOI: 10.1016/j.bmc.2012.12.010 BindingDB Entry DOI: 10.7270/Q2XP7692
					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50444515 (CHEMBL3099581) Show SMILES Nc1nc2[nH]c3cccc(Sc4cccc5ccccc45)c3c2c(=O)[nH]1 Show InChI InChI=1S/C20H14N4OS/c21-20-23-18-17(19(25)24-20)16-13(22-18)8-4-10-15(16)26-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H4,21,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of wild type Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 using dUMP and methylene-THF as substrate by kaleidagraph analys...				ACS Med Chem Lett 4: 1148-1151 (2013) Article DOI: 10.1021/ml400208v BindingDB Entry DOI: 10.7270/Q2FJ2J7P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463631 (CHEMBL4245874) Show SMILES COc1ccc(Nc2ncnc3occ(C)c23)cc1 Show InChI InChI=1S/C14H13N3O2/c1-9-7-19-14-12(9)13(15-8-16-14)17-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463629 (CHEMBL4237916) Show SMILES CCCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12 Show InChI InChI=1S/C17H19N3O2/c1-4-9-20(13-5-7-14(21-3)8-6-13)16-15-12(2)10-22-17(15)19-11-18-16/h5-8,10-11H,4,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463630 (CHEMBL4250273) Show SMILES COc1ccc(cc1)N(C(C)C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C17H19N3O2/c1-11(2)20(13-5-7-14(21-4)8-6-13)16-15-12(3)9-22-17(15)19-10-18-16/h5-11H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463625 (CHEMBL4241638) Show SMILES CCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H17N3O2/c1-4-19(12-5-7-13(20-3)8-6-12)15-14-11(2)9-21-16(14)18-10-17-15/h5-10H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463631 (CHEMBL4245874) Show SMILES COc1ccc(Nc2ncnc3occ(C)c23)cc1 Show InChI InChI=1S/C14H13N3O2/c1-9-7-19-14-12(9)13(15-8-16-14)17-10-3-5-11(18-2)6-4-10/h3-8H,1-2H3,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463628 (CHEMBL4250210) Show SMILES CNc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(17-9-18-15)19(3)12-6-4-11(16-2)5-7-12/h4-9,16H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463623 (CHEMBL4239716) Show SMILES CSc1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C15H15N3OS/c1-10-8-19-15-13(10)14(16-9-17-15)18(2)11-4-6-12(20-3)7-5-11/h4-9H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463626 (CHEMBL4245415) Show SMILES CN(C)c1ccc(cc1)N(C)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H18N4O/c1-11-9-21-16-14(11)15(17-10-18-16)20(4)13-7-5-12(6-8-13)19(2)3/h5-10H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463625 (CHEMBL4241638) Show SMILES CCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H17N3O2/c1-4-19(12-5-7-13(20-3)8-6-12)15-14-11(2)9-21-16(14)18-10-17-15/h5-10H,4H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50435113 (CHEMBL2391703) Show SMILES CCN(c1ccc(OC)cc1)c1nc(N)nc2[nH]c3ccccc3c12 Show InChI InChI=1S/C19H19N5O/c1-3-24(12-8-10-13(25-2)11-9-12)18-16-14-6-4-5-7-15(14)21-17(16)22-19(20)23-18/h4-11H,3H2,1-2H3,(H3,20,21,22,23)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay				Bioorg Med Chem 21: 891-902 (2013) Article DOI: 10.1016/j.bmc.2012.12.010 BindingDB Entry DOI: 10.7270/Q2XP7692
					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 PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463625 (CHEMBL4241638) Show SMILES CCN(c1ccc(OC)cc1)c1ncnc2occ(C)c12 Show InChI InChI=1S/C16H17N3O2/c1-4-19(12-5-7-13(20-3)8-6-12)15-14-11(2)9-21-16(14)18-10-17-15/h5-10H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (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 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	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463624 (CHEMBL4237915) Show SMILES CN(C)c1ccc(Nc2ncnc3occ(C)c23)cc1 Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463624 (CHEMBL4237915) Show SMILES CN(C)c1ccc(Nc2ncnc3occ(C)c23)cc1 Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463633 (CHEMBL4240844) Show SMILES Cc1coc2ncnc(Nc3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C13H10N4O3/c1-8-6-20-13-11(8)12(14-7-15-13)16-9-2-4-10(5-3-9)17(18)19/h2-7H,1H3,(H,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50463627 (CHEMBL4247926) Show SMILES CNc1ccc(Nc2ncnc3occ(C)c23)cc1 Show InChI InChI=1S/C14H14N4O/c1-9-7-19-14-12(9)13(16-8-17-14)18-11-5-3-10(15-2)4-6-11/h3-8,15H,1-2H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of VEGF-induced VEGFR2 activation in human U251 cells pretreated for 60 mins followed by VEGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50463627 (CHEMBL4247926) Show SMILES CNc1ccc(Nc2ncnc3occ(C)c23)cc1 Show InChI InChI=1S/C14H14N4O/c1-9-7-19-14-12(9)13(16-8-17-14)18-11-5-3-10(15-2)4-6-11/h3-8,15H,1-2H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of PDGF-BB-induced PDGFRbeta activation in human SH-SY5Y cells pretreated for 60 mins followed by PDGF-BB addition and measured after 10 m...				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463633 (CHEMBL4240844) Show SMILES Cc1coc2ncnc(Nc3ccc(cc3)[N+]([O-])=O)c12 Show InChI InChI=1S/C13H10N4O3/c1-8-6-20-13-11(8)12(14-7-15-13)16-9-2-4-10(5-3-9)17(18)19/h2-7H,1H3,(H,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463627 (CHEMBL4247926) Show SMILES CNc1ccc(Nc2ncnc3occ(C)c23)cc1 Show InChI InChI=1S/C14H14N4O/c1-9-7-19-14-12(9)13(16-8-17-14)18-11-5-3-10(15-2)4-6-11/h3-8,15H,1-2H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50463624 (CHEMBL4237915) Show SMILES CN(C)c1ccc(Nc2ncnc3occ(C)c23)cc1 Show InChI InChI=1S/C15H16N4O/c1-10-8-20-15-13(10)14(16-9-17-15)18-11-4-6-12(7-5-11)19(2)3/h4-9H,1-3H3,(H,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>200	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGF-induced EGFR activation in human A431 cells pretreated for 60 mins followed by EGF addition and measured after 10 mins by ELISA				Bioorg Med Chem Lett 28: 3085-3093 (2018) Article DOI: 10.1016/j.bmcl.2018.07.039 BindingDB Entry DOI: 10.7270/Q24X5BF1
					More data for this Ligand-Target Pair

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