Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50001107   

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
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269498 (CHEMBL4082724) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-17-19-46(20-18-45)16-5-21-51-36-24-31-28(23-35(36)50-2)33(14-15-42-31)52-34-13-10-26(22-29(34)41)43-38(48)37-39(49)47(27-11-8-25(40)9-12-27)32-7-4-3-6-30(32)44-37/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,43,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269499 (CHEMBL4072335) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccccc5Cl)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(67.29,-30.83,;68.62,-30.06,;69.96,-30.83,;71.28,-30.06,;72.62,-30.83,;73.95,-30.05,;73.94,-28.51,;75.27,-27.74,;76.6,-28.51,;77.93,-27.73,;77.92,-26.19,;79.25,-25.41,;80.59,-26.17,;80.6,-27.71,;81.91,-25.39,;81.9,-23.85,;83.23,-23.08,;83.23,-21.55,;84.55,-20.77,;85.89,-21.54,;85.89,-23.07,;84.57,-23.84,;84.57,-25.38,;85.91,-26.14,;85.91,-27.69,;87.25,-28.45,;88.58,-27.67,;88.57,-26.12,;87.23,-25.37,;87.22,-23.83,;83.25,-26.16,;83.26,-27.7,;76.57,-25.43,;75.25,-26.21,;73.91,-25.45,;75.28,-30.81,;75.29,-32.36,;73.96,-33.14,;72.62,-32.37,;71.29,-33.15,;69.95,-32.38,;68.62,-33.15,;67.29,-32.38,;65.95,-33.14,;64.62,-32.37,;63.28,-33.14,;61.96,-32.37,;60.63,-33.13,;60.62,-34.67,;59.28,-35.44,;61.95,-35.45,;63.29,-34.68,)| Show InChI InChI=1S/C39H36ClFN6O5/c1-45-17-19-46(20-18-45)16-7-21-51-36-24-30-26(23-35(36)50-2)33(14-15-42-30)52-34-13-12-25(22-28(34)41)43-38(48)37-39(49)47(31-10-5-3-8-27(31)40)32-11-6-4-9-29(32)44-37/h3-6,8-15,22-24H,7,16-21H2,1-2H3,(H,43,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269502 (CHEMBL4095304) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C38H33F2N5O6/c1-48-34-22-27-30(23-35(34)50-18-4-15-44-16-19-49-20-17-44)41-14-13-32(27)51-33-12-9-25(21-28(33)40)42-37(46)36-38(47)45(26-10-7-24(39)8-11-26)31-6-3-2-5-29(31)43-36/h2-3,5-14,21-23H,4,15-20H2,1H3,(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50269498 (CHEMBL4082724) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-17-19-46(20-18-45)16-5-21-51-36-24-31-28(23-35(36)50-2)33(14-15-42-31)52-34-13-10-26(22-29(34)41)43-38(48)37-39(49)47(27-11-8-25(40)9-12-27)32-7-4-3-6-30(32)44-37/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,43,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269505 (CHEMBL4065200) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccccc5Cl)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1 |(32.92,-12.87,;34.25,-12.1,;35.58,-12.87,;36.91,-12.09,;38.25,-12.86,;39.57,-12.09,;39.57,-10.55,;40.89,-9.77,;42.22,-10.54,;43.55,-9.76,;43.55,-8.22,;44.87,-7.44,;46.21,-8.2,;46.22,-9.74,;47.54,-7.42,;47.52,-5.89,;48.86,-5.11,;48.85,-3.58,;50.17,-2.81,;51.51,-3.57,;51.52,-5.1,;50.19,-5.87,;50.2,-7.42,;51.54,-8.17,;51.54,-9.72,;52.88,-10.48,;54.21,-9.7,;54.2,-8.16,;52.86,-7.4,;52.85,-5.86,;48.88,-8.19,;48.88,-9.73,;42.2,-7.46,;40.87,-8.24,;39.53,-7.48,;40.91,-12.85,;40.92,-14.39,;39.58,-15.17,;38.25,-14.4,;36.91,-15.18,;35.58,-14.41,;34.25,-15.18,;32.91,-14.41,;31.58,-15.18,;30.25,-14.41,;28.91,-15.17,;27.58,-14.4,;26.25,-15.17,;26.24,-16.71,;27.58,-17.48,;28.92,-16.72,)| Show InChI InChI=1S/C38H33ClFN5O6/c1-48-34-22-25-29(23-35(34)50-18-6-15-44-16-19-49-20-17-44)41-14-13-32(25)51-33-12-11-24(21-27(33)40)42-37(46)36-38(47)45(30-9-4-2-7-26(30)39)31-10-5-3-8-28(31)43-36/h2-5,7-14,21-23H,6,15-20H2,1H3,(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Macrophage-stimulating protein receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of Ron (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269504 (CHEMBL4098250) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 Show InChI InChI=1S/C40H37F2N5O5/c1-25-15-19-46(20-16-25)18-5-21-51-37-24-32-29(23-36(37)50-2)34(14-17-43-32)52-35-13-10-27(22-30(35)42)44-39(48)38-40(49)47(28-11-8-26(41)9-12-28)33-7-4-3-6-31(33)45-38/h3-4,6-14,17,22-25H,5,15-16,18-21H2,1-2H3,(H,44,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269500 (CHEMBL4092858) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccccc5F)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1 |(8.56,-11.36,;9.9,-10.59,;11.23,-11.36,;12.56,-10.59,;13.89,-11.35,;15.22,-10.58,;15.21,-9.04,;16.54,-8.26,;17.87,-9.03,;19.2,-8.25,;19.19,-6.71,;20.52,-5.93,;21.86,-6.69,;21.87,-8.23,;23.19,-5.91,;23.17,-4.38,;24.51,-3.6,;24.5,-2.07,;25.82,-1.3,;27.16,-2.06,;27.16,-3.6,;25.84,-4.37,;25.85,-5.91,;27.18,-6.67,;27.19,-8.21,;28.52,-8.97,;29.86,-8.19,;29.84,-6.65,;28.51,-5.89,;28.49,-4.35,;24.52,-6.68,;24.53,-8.22,;17.84,-5.95,;16.52,-6.73,;15.18,-5.97,;16.56,-11.34,;16.57,-12.89,;15.23,-13.66,;13.89,-12.89,;12.56,-13.67,;11.23,-12.9,;9.89,-13.67,;8.56,-12.9,;7.23,-13.67,;5.89,-12.9,;4.56,-13.67,;3.23,-12.89,;1.9,-13.66,;1.89,-15.2,;3.22,-15.97,;4.57,-15.21,)| Show InChI InChI=1S/C38H33F2N5O6/c1-48-34-22-25-29(23-35(34)50-18-6-15-44-16-19-49-20-17-44)41-14-13-32(25)51-33-12-11-24(21-27(33)40)42-37(46)36-38(47)45(30-9-4-2-7-26(30)39)31-10-5-3-8-28(31)43-36/h2-5,7-14,21-23H,6,15-20H2,1H3,(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of Flt3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Kit (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269503 (CHEMBL4085110) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(Cl)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C38H33ClFN5O6/c1-48-34-22-27-30(23-35(34)50-18-4-15-44-16-19-49-20-17-44)41-14-13-32(27)51-33-12-9-25(21-28(33)40)42-37(46)36-38(47)45(26-10-7-24(39)8-11-26)31-6-3-2-5-29(31)43-36/h2-3,5-14,21-23H,4,15-20H2,1H3,(H,42,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269501 (CHEMBL4084146) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCCCC1 Show InChI InChI=1S/C39H35F2N5O5/c1-49-35-23-28-31(24-36(35)50-21-7-20-45-18-5-2-6-19-45)42-17-16-33(28)51-34-15-12-26(22-29(34)41)43-38(47)37-39(48)46(27-13-10-25(40)11-14-27)32-9-4-3-8-30(32)44-37/h3-4,8-17,22-24H,2,5-7,18-21H2,1H3,(H,43,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50269496 (CHEMBL4090537) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccccc5F)c4=O)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 |(46.07,-12.24,;47.41,-11.47,;48.74,-12.24,;50.07,-11.47,;51.4,-12.24,;52.73,-11.46,;52.72,-9.92,;54.05,-9.15,;55.38,-9.91,;56.71,-9.14,;56.7,-7.6,;58.03,-6.82,;59.37,-7.58,;59.38,-9.12,;60.7,-6.8,;60.68,-5.26,;62.02,-4.49,;62.01,-2.96,;63.33,-2.18,;64.67,-2.95,;64.67,-4.48,;63.35,-5.25,;63.36,-6.79,;64.69,-7.55,;64.7,-9.09,;66.03,-9.86,;67.37,-9.08,;67.35,-7.53,;66.02,-6.78,;66,-5.24,;62.03,-7.57,;62.04,-9.11,;55.36,-6.83,;54.03,-7.61,;52.69,-6.86,;54.07,-12.22,;54.08,-13.77,;52.74,-14.55,;51.41,-13.78,;50.07,-14.56,;48.74,-13.79,;47.4,-14.56,;46.07,-13.78,;44.74,-14.55,;43.4,-13.78,;42.07,-14.55,;40.74,-13.78,;39.41,-14.54,;39.4,-16.08,;38.07,-16.85,;40.74,-16.86,;42.08,-16.09,)| Show InChI InChI=1S/C40H37F2N5O5/c1-25-15-19-46(20-16-25)18-7-21-51-37-24-31-27(23-36(37)50-2)34(14-17-43-31)52-35-13-12-26(22-29(35)42)44-39(48)38-40(49)47(32-10-5-3-8-28(32)41)33-11-6-4-9-30(33)45-38/h3-6,8-14,17,22-25H,7,15-16,18-21H2,1-2H3,(H,44,48)	PDB MMDB 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
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50269498 (CHEMBL4082724) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-17-19-46(20-18-45)16-5-21-51-36-24-31-28(23-35(36)50-2)33(14-15-42-31)52-34-13-10-26(22-29(34)41)43-38(48)37-39(49)47(27-11-8-25(40)9-12-27)32-7-4-3-6-30(32)44-37/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,43,48)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Macrophage-stimulating protein receptor (Homo sapiens (Human))	BDBM50269498 (CHEMBL4082724) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-17-19-46(20-18-45)16-5-21-51-36-24-31-28(23-35(36)50-2)33(14-15-42-31)52-34-13-10-26(22-29(34)41)43-38(48)37-39(49)47(27-11-8-25(40)9-12-27)32-7-4-3-6-30(32)44-37/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,43,48)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of Ron (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50269498 (CHEMBL4082724) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-17-19-46(20-18-45)16-5-21-51-36-24-31-28(23-35(36)50-2)33(14-15-42-31)52-34-13-10-26(22-29(34)41)43-38(48)37-39(49)47(27-11-8-25(40)9-12-27)32-7-4-3-6-30(32)44-37/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,43,48)	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	152	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50269498 (CHEMBL4082724) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-17-19-46(20-18-45)16-5-21-51-36-24-31-28(23-35(36)50-2)33(14-15-42-31)52-34-13-10-26(22-29(34)41)43-38(48)37-39(49)47(27-11-8-25(40)9-12-27)32-7-4-3-6-30(32)44-37/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,43,48)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	269	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of Flt3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50269498 (CHEMBL4082724) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-17-19-46(20-18-45)16-5-21-51-36-24-31-28(23-35(36)50-2)33(14-15-42-31)52-34-13-10-26(22-29(34)41)43-38(48)37-39(49)47(27-11-8-25(40)9-12-27)32-7-4-3-6-30(32)44-37/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,43,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	981	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50269498 (CHEMBL4082724) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nc5ccccc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-17-19-46(20-18-45)16-5-21-51-36-24-31-28(23-35(36)50-2)33(14-15-42-31)52-34-13-10-26(22-29(34)41)43-38(48)37-39(49)47(27-11-8-25(40)9-12-27)32-7-4-3-6-30(32)44-37/h3-4,6-15,22-24H,5,16-21H2,1-2H3,(H,43,48)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University), Ministry of Education, 103 Wenhua Road, Shenhe District, Shenyang 110016, PR China; College of Pharma Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Bioorg Med Chem 25: 4475-4486 (2017) Article DOI: 10.1016/j.bmc.2017.06.037 BindingDB Entry DOI: 10.7270/Q2PC34W2
					More data for this Ligand-Target Pair