Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'rohena' and Initial = 'cc'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	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)
Tubulin beta-3 chain (Homo sapiens)	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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of p-gp overexpressed in human SKOV3/M6-6 isogenic cells after 48 hrs by sulforhodamine B assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					More data for this Ligand-Target Pair
Tubulin beta-3 chain (Homo sapiens)	BDBM50001839 (CHEMBL428647 | PACLITAXEL | taxol) Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)| Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tubulin beta-3 chain (Homo sapiens)	BDBM50493263 (CHEMBL2425924) Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2CCCc12 Show InChI InChI=1S/C16H19N3O/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h7-10H,4-6H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					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 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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50493263 (CHEMBL2425924) Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2CCCc12 Show InChI InChI=1S/C16H19N3O/c1-11-17-15-6-4-5-14(15)16(18-11)19(2)12-7-9-13(20-3)10-8-12/h7-10H,4-6H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD 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 p-gp overexpressed in human SKOV3/M6-6 isogenic cells after 48 hrs by sulforhodamine B assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					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 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
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))	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))	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
Tubulin beta-3 chain (Homo sapiens)	BDBM50493264 (CHEMBL1824506) Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2CC(C)Cc12 Show InChI InChI=1S/C17H21N3O.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					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
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
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
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
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
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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50493264 (CHEMBL1824506) Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2CC(C)Cc12 Show InChI InChI=1S/C17H21N3O.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of p-gp overexpressed in human SKOV3/M6-6 isogenic cells after 48 hrs by sulforhodamine B assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					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
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
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
Epidermal growth factor receptor (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	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))	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	102	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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	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))	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 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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	145	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))	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 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

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