Compile Data Set for Download or QSAR

Found 699 hits with Last Name = 'lv' and Initial = 'pc'   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50029085 (CHEBI:83405 | CHEMBL525191 | GDC-0879) Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant (unknown origin)				Bioorg Med Chem 22: 6201-8 (2014) Article DOI: 10.1016/j.bmc.2014.08.029 BindingDB Entry DOI: 10.7270/Q2RB7658
					More data for this Ligand-Target Pair				3D Structure (crystal)
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50108877 ((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...) Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Research & Development Curated by ChEMBL					Assay Description Inhibition of Catechol O-methyltransferase activity in rat brain				J Med Chem 45: 685-95 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q84
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167952 (1-(4-(3-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...) Show SMILES COc1cccc(c1)N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-19-6-4-5-17(13-19)26-11-9-25(10-12-26)14-18(27)15-29-22-20-7-2-3-8-21(20)23-16-24-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.89	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50331095 (CHEMBL1289494 | Tivozanib | US10464902, Tivozanib) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.38	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167953 (1-(4-(4-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...) Show SMILES COc1ccc(cc1)N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-19-8-6-17(7-9-19)26-12-10-25(11-13-26)14-18(27)15-29-22-20-4-2-3-5-21(20)23-16-24-22/h2-9,16,18,27H,10-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.42	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50108878 (1-(3,4-Dihydroxy-5-nitro-phenyl)-2-phenyl-ethanone...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C14H11NO5/c16-12(6-9-4-2-1-3-5-9)10-7-11(15(19)20)14(18)13(17)8-10/h1-5,7-8,17-18H,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Department of Research & Development Curated by ChEMBL					Assay Description Inhibition of Catechol O-methyltransferase activity in rat brain				J Med Chem 45: 685-95 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q84
					More data for this Ligand-Target Pair				3D Structure (docked)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167954 (1-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)-3-...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O2/c23-22(24,25)16-4-3-5-17(12-16)29-10-8-28(9-11-29)13-18(30)14-31-21-19-6-1-2-7-20(19)26-15-27-21/h1-7,12,15,18,30H,8-11,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.98	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167956 (1-(4-(3,4-Dichlorophenyl)piperazin-1-yl)-3-(quinaz...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H22Cl2N4O2/c22-18-6-5-15(11-19(18)23)27-9-7-26(8-10-27)12-16(28)13-29-21-17-3-1-2-4-20(17)24-14-25-21/h1-6,11,14,16,28H,7-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.42	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167951 (1-(4-(2-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...) Show SMILES COc1ccccc1N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-21-9-5-4-8-20(21)26-12-10-25(11-13-26)14-17(27)15-29-22-18-6-2-3-7-19(18)23-16-24-22/h2-9,16-17,27H,10-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.98	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167957 (1-(4-(2,4-Dimethylphenyl)piperazin-1-yl)-3-(quinaz...) Show SMILES Cc1ccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c(C)c1 Show InChI InChI=1S/C23H28N4O2/c1-17-7-8-22(18(2)13-17)27-11-9-26(10-12-27)14-19(28)15-29-23-20-5-3-4-6-21(20)24-16-25-23/h3-8,13,16,19,28H,9-12,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.4	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50108879 ((2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-d...) Show SMILES CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N Show InChI InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	12.8	n/a	n/a	n/a	n/a	n/a	n/a
Department of Research & Development Curated by ChEMBL					Assay Description Inhibition of Catechol O-methyltransferase activity in rat brain				J Med Chem 45: 685-95 (2002) BindingDB Entry DOI: 10.7270/Q2TT4Q84
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064769 (CHEMBL3401255) Show SMILES Cc1ccc2OCCn3c(nc4cc(ccc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C16H13N3O3/c1-10-2-5-15-12(8-10)16-17-13-9-11(19(20)21)3-4-14(13)18(16)6-7-22-15/h2-5,8-9H,6-7H2,1H3	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
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167950 (1-(4-(4-Nitrophenyl)piperazin-1-yl)-3-(quinazolin-...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H23N5O4/c27-18(14-30-21-19-3-1-2-4-20(19)22-15-23-21)13-24-9-11-25(12-10-24)16-5-7-17(8-6-16)26(28)29/h1-8,15,18,27H,9-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.5	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167949 (1-(4-(4-Fluorophenyl)piperazin-1-yl)-3-(quinazolin...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23FN4O2/c22-16-5-7-17(8-6-16)26-11-9-25(10-12-26)13-18(27)14-28-21-19-3-1-2-4-20(19)23-15-24-21/h1-8,15,18,27H,9-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21.8	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA				Bioorg Med Chem 18: 4606-14 (2011) Article DOI: 10.1016/j.bmc.2010.05.034 BindingDB Entry DOI: 10.7270/Q22R3SMJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in baculovirus infected Sf9 cells after 1 hr by DELFIA/time-resolved fluorometry assay				Bioorg Med Chem 19: 5012-22 (2011) Article DOI: 10.1016/j.bmc.2011.06.044 BindingDB Entry DOI: 10.7270/Q2125T1W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...				Bioorg Med Chem Lett 21: 5374-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.010 BindingDB Entry DOI: 10.7270/Q2833SFM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA				Bioorg Med Chem 18: 314-9 (2010) Article DOI: 10.1016/j.bmc.2009.10.051 BindingDB Entry DOI: 10.7270/Q2GF0TMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50016496 (CHEMBL3260241) Show SMILES COc1cccc(\C=C\C(=O)NNC(=O)c2ccc3OCCOc3c2)c1 Show InChI InChI=1S/C19H18N2O5/c1-24-15-4-2-3-13(11-15)5-8-18(22)20-21-19(23)14-6-7-16-17(12-14)26-10-9-25-16/h2-8,11-12H,9-10H2,1H3,(H,20,22)(H,21,23)/b8-5+	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using RRRDELMEASFADQEAKV as substrate after 20 mins by liquid scintillation counting analysis				Eur J Med Chem 81: 420-6 (2014) Article DOI: 10.1016/j.ejmech.2014.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47PK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50064788 (CHEMBL3401249) Show SMILES Clc1ccc2n3CCOc4ccc(Br)cc4-c3nc2c1 Show InChI InChI=1S/C15H10BrClN2O/c16-9-1-4-14-11(7-9)15-18-12-8-10(17)2-3-13(12)19(15)5-6-20-14/h1-4,7-8H,5-6H2	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin) using PI(3,4)P2 as substrate after 3 hrs incubation by competitive fluorescence polarization kin...				Bioorg Med Chem 23: 1231-40 (2015) Article DOI: 10.1016/j.bmc.2015.01.052 BindingDB Entry DOI: 10.7270/Q2BC417K
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167945 (1-(4-Phenylpiperazin-1-yl)-3-(quinazolin-4-yloxy)p...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H24N4O2/c26-18(15-27-21-19-8-4-5-9-20(19)22-16-23-21)14-24-10-12-25(13-11-24)17-6-2-1-3-7-17/h1-9,16,18,26H,10-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32.6	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of EGFR expressed in Sf9 cells assessed as inhibition of receptor autophosphorylation by DELFIA time resolved fluorometry				Bioorg Med Chem 18: 1117-23 (2010) Article DOI: 10.1016/j.bmc.2009.12.048 BindingDB Entry DOI: 10.7270/Q2HX1CST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human EGFR autophosphorylation expressed in Sf9 cells DELFIA assay				Eur J Med Chem 45: 3184-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.056 BindingDB Entry DOI: 10.7270/Q2PV6KHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167948 (1-(4-(2-Fluorophenyl)piperazin-1-yl)-3-(quinazolin...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C21H23FN4O2/c22-18-6-2-4-8-20(18)26-11-9-25(10-12-26)13-16(27)14-28-21-17-5-1-3-7-19(17)23-15-24-21/h1-8,15-16,27H,9-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34.7	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50310276 (CHEMBL601625 | N-Hexadecyl 2-(5-hydroxy-4-oxo-2-ph...) Show SMILES CCCCCCCCCCCCCCCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C33H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-34-32(37)25-38-27-22-28(35)33-29(36)24-30(39-31(33)23-27)26-19-16-15-17-20-26/h15-17,19-20,22-24,35H,2-14,18,21,25H2,1H3,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of EGFR expressed in Sf9 cells assessed as inhibition of receptor autophosphorylation by DELFIA time resolved fluorometry				Bioorg Med Chem 18: 1117-23 (2010) Article DOI: 10.1016/j.bmc.2009.12.048 BindingDB Entry DOI: 10.7270/Q2HX1CST
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM3294 (4-Anilinoquinazoline deriv. 45 | 4-N-(3-bromopheny...) Show SMILES Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR expressed in baculovirus infected Sf9 cells after 1 hr by DELFIA/time-resolved fluorometry assay				Bioorg Med Chem 19: 5012-22 (2011) Article DOI: 10.1016/j.bmc.2011.06.044 BindingDB Entry DOI: 10.7270/Q2125T1W
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50331095 (CHEMBL1289494 | Tivozanib | US10464902, Tivozanib) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC Show InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	42.4	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167947 (1-(4-(3-Chlorophenyl)piperazin-1-yl)-3-(quinazolin...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN4O2/c22-16-4-3-5-17(12-16)26-10-8-25(9-11-26)13-18(27)14-28-21-19-6-1-2-7-20(19)23-15-24-21/h1-7,12,15,18,27H,8-11,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47.4	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167955 (1-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-(quinaz...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2N4O2/c22-17-5-3-7-19(20(17)23)27-10-8-26(9-11-27)12-15(28)13-29-21-16-4-1-2-6-18(16)24-14-25-21/h1-7,14-15,28H,8-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47.7	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50310266 (CHEMBL598307 | Hexadecyl 2-(5-hydroxy-4-oxo-2-phen...) Show SMILES CCCCCCCCCCCCCCCCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C33H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-37-32(36)25-38-27-22-28(34)33-29(35)24-30(39-31(33)23-27)26-19-16-15-17-20-26/h15-17,19-20,22-24,34H,2-14,18,21,25H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of EGFR expressed in Sf9 cells assessed as inhibition of receptor autophosphorylation by DELFIA time resolved fluorometry				Bioorg Med Chem 18: 1117-23 (2010) Article DOI: 10.1016/j.bmc.2009.12.048 BindingDB Entry DOI: 10.7270/Q2HX1CST
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167946 (1-(4-(2-Chlorophenyl)piperazin-1-yl)-3-(quinazolin...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccccc1Cl Show InChI InChI=1S/C21H23ClN4O2/c22-18-6-2-4-8-20(18)26-11-9-25(10-12-26)13-16(27)14-28-21-17-5-1-3-7-19(17)23-15-24-21/h1-8,15-16,27H,9-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49.8	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167958 (1-(4-Benzylpiperazin-1-yl)-3-(quinazolin-4-yloxy)p...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H26N4O2/c27-19(16-28-22-20-8-4-5-9-21(20)23-17-24-22)15-26-12-10-25(11-13-26)14-18-6-2-1-3-7-18/h1-9,17,19,27H,10-16H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52.2	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167960 (1-(4-Ethylpiperazin-1-yl)-3-(quinazolin-4-yloxy)pr...) Show SMILES CCN1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C17H24N4O2/c1-2-20-7-9-21(10-8-20)11-14(22)12-23-17-15-5-3-4-6-16(15)18-13-19-17/h3-6,13-14,22H,2,7-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54.4	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM167952 (1-(4-(3-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...) Show SMILES COc1cccc(c1)N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-19-6-4-5-17(13-19)26-11-9-25(10-12-26)14-18(27)15-29-22-20-7-2-3-8-21(20)23-16-24-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54.4	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167965 (1-(2-Methyl-1H-imidazol-1-yl)-3-(quinazolin-4-ylox...) Show SMILES Cc1nccn1CC(O)COc1ncnc2ccccc12 Show InChI InChI=1S/C15H16N4O2/c1-11-16-6-7-19(11)8-12(20)9-21-15-13-4-2-3-5-14(13)17-10-18-15/h2-7,10,12,20H,8-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.7	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167959 (1-(4-Methylpiperazin-1-yl)-3-(quinazolin-4-yloxy)p...) Show SMILES CN1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C16H22N4O2/c1-19-6-8-20(9-7-19)10-13(21)11-22-16-14-4-2-3-5-15(14)17-12-18-16/h2-5,12-13,21H,6-11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59.3	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50352223 (CHEMBL1821869) Show SMILES Cc1ccc(cc1C)C1=NN(C(C1)c1ccc(F)cc1)c1nc(cs1)-c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C26H21ClFN3S/c1-16-3-4-20(13-17(16)2)23-14-25(19-7-11-22(28)12-8-19)31(30-23)26-29-24(15-32-26)18-5-9-21(27)10-6-18/h3-13,15,25H,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of recombinant (His)6-tagged EGFR cytoplasmic domain (645-1186) autophosphorylation pre-incubated for 10 mins measured after 1 hrs by DELF...				Bioorg Med Chem Lett 21: 5374-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.010 BindingDB Entry DOI: 10.7270/Q2833SFM
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM167953 (1-(4-(4-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...) Show SMILES COc1ccc(cc1)N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-19-8-6-17(7-9-19)26-12-10-25(11-13-26)14-18(27)15-29-22-20-4-2-3-5-21(20)23-16-24-22/h2-9,16,18,27H,10-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62.7	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167961 (1-(Dimethylamino)-3-(quinazolin-4-yloxy)propan-2-o...) Show SMILES CN(C)CC(O)COc1ncnc2ccccc12 Show InChI InChI=1S/C13H17N3O2/c1-16(2)7-10(17)8-18-13-11-5-3-4-6-12(11)14-9-15-13/h3-6,9-10,17H,7-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63.0	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM167951 (1-(4-(2-Methoxyphenyl)piperazin-1-yl)-3-(quinazoli...) Show SMILES COc1ccccc1N1CCN(CC(O)COc2ncnc3ccccc23)CC1 Show InChI InChI=1S/C22H26N4O3/c1-28-21-9-5-4-8-20(21)26-12-10-25(11-13-26)14-17(27)15-29-22-18-6-2-3-7-19(18)23-16-24-22/h2-9,16-17,27H,10-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69.2	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50322009 (3-(3,4-Dimethylphenyl)-5-(4-methoxyphenyl)-4,5-dih...) Show SMILES COc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)c(C)c1 |c:11| Show InChI InChI=1S/C19H21N3OS/c1-12-4-5-15(10-13(12)2)17-11-18(22(21-17)19(20)24)14-6-8-16(23-3)9-7-14/h4-10,18H,11H2,1-3H3,(H2,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant EGFR autophosphorylation expressed in Sf9 cells by solid-phase ELISA				Bioorg Med Chem 18: 4606-14 (2011) Article DOI: 10.1016/j.bmc.2010.05.034 BindingDB Entry DOI: 10.7270/Q22R3SMJ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167966 (1-(4-Methyl-1H-imidazol-1-yl)-3-(quinazolin-4-ylox...) Show SMILES Cc1cn(CC(O)COc2ncnc3ccccc23)cn1 Show InChI InChI=1S/C15H16N4O2/c1-11-6-19(10-18-11)7-12(20)8-21-15-13-4-2-3-5-14(13)16-9-17-15/h2-6,9-10,12,20H,7-8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74.2	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM167956 (1-(4-(3,4-Dichlorophenyl)piperazin-1-yl)-3-(quinaz...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H22Cl2N4O2/c22-18-6-5-15(11-19(18)23)27-9-7-26(8-10-27)12-16(28)13-29-21-17-3-1-2-4-20(17)24-14-25-21/h1-6,11,14,16,28H,7-10,12-13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74.3	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167963 (1-(Piperidin-1-yl)-3-(quinazolin-4-yloxy)propan-2-...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCCCC1 Show InChI InChI=1S/C16H21N3O2/c20-13(10-19-8-4-1-5-9-19)11-21-16-14-6-2-3-7-15(14)17-12-18-16/h2-3,6-7,12-13,20H,1,4-5,8-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78.5	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM167954 (1-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)-3-...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCN(CC1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O2/c23-22(24,25)16-4-3-5-17(12-16)29-10-8-28(9-11-29)13-18(30)14-31-21-19-6-1-2-7-20(19)26-15-27-21/h1-7,12,15,18,30H,8-11,13-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78.9	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167962 (1-Morpholino-3-(quinazolin-4-yloxy)propan-2-ol (3r...) Show SMILES OC(COc1ncnc2ccccc12)CN1CCOCC1 Show InChI InChI=1S/C15H19N3O3/c19-12(9-18-5-7-20-8-6-18)10-21-15-13-3-1-2-4-14(13)16-11-17-15/h1-4,11-12,19H,5-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81.7	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM167964 (1-(1H-Imidazol-1-yl)-3-(quinazolin-4-yloxy)propan-...) Show SMILES OC(COc1ncnc2ccccc12)Cn1ccnc1 Show InChI InChI=1S/C14H14N4O2/c19-11(7-18-6-5-15-10-18)8-20-14-12-3-1-2-4-13(12)16-9-17-14/h1-6,9-11,19H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84.3	n/a	n/a	n/a	n/a	7.2	25
Nanjing University					Assay Description VEGFR kinase assays were set up to assess the level of autophosphorylation based on DELFIA/Time-Resolved Fluorometry. 96-well plates were coated at r...				Chem Biol Drug Des 86: 1323-9 (2015) Article DOI: 10.1111/cbdd.12596 BindingDB Entry DOI: 10.7270/Q2GB22TR
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50321714 (8-Bromo-3-cyclopropylcarbonyl-5-methyl-1-indolizin...) Show SMILES Cc1ccc(Br)c2c(cc(C(=O)C3CC3)n12)C#N Show InChI InChI=1S/C14H11BrN2O/c1-8-2-5-11(15)13-10(7-16)6-12(17(8)13)14(18)9-3-4-9/h2,5-6,9H,3-4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human EGFR autophosphorylation expressed in Sf9 cells DELFIA assay				Eur J Med Chem 45: 3184-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.056 BindingDB Entry DOI: 10.7270/Q2PV6KHG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50016508 (CHEMBL3260249) Show SMILES O=C(NNC(=O)c1ccc2OCCOc2c1)\C=C\c1ccccc1 Show InChI InChI=1S/C18H16N2O4/c21-17(9-6-13-4-2-1-3-5-13)19-20-18(22)14-7-8-15-16(12-14)24-11-10-23-15/h1-9,12H,10-11H2,(H,19,21)(H,20,22)/b9-6+	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of PLK1 (unknown origin) using RRRDELMEASFADQEAKV as substrate after 20 mins by liquid scintillation counting analysis				Eur J Med Chem 81: 420-6 (2014) Article DOI: 10.1016/j.ejmech.2014.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47PK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50308605 (2-(2-(5-Bromo-2-hydroxybenzylidene)hydrazinyl)thia...) Show SMILES Oc1csc(N=NCc2cc(Br)ccc2O)n1 |w:6.6| Show InChI InChI=1S/C10H8BrN3O2S/c11-7-1-2-8(15)6(3-7)4-12-14-10-13-9(16)5-17-10/h1-3,5,15-16H,4H2	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
Nanjing University Curated by ChEMBL					Assay Description Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA				Bioorg Med Chem 18: 314-9 (2010) Article DOI: 10.1016/j.bmc.2009.10.051 BindingDB Entry DOI: 10.7270/Q2GF0TMF
					More data for this Ligand-Target Pair

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