Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50002902   

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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of Flt-3 (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464544 (CHEMBL4281698) Show SMILES Fc1cc(NC(=O)c2cc3cccnc3n(-c3ccc(Cl)cc3)c2=O)ccc1Oc1ccnc2[nH]ccc12 Show InChI InChI=1S/C28H17ClFN5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464541 (CHEMBL4278233) Show SMILES Fc1cc(NC(=O)c2cc3cccnc3n(-c3ccccc3)c2=O)ccc1Oc1ccnc2[nH]ccc12 Show InChI InChI=1S/C28H18FN5O3/c29-22-16-18(8-9-24(22)37-23-11-14-31-25-20(23)10-13-30-25)33-27(35)21-15-17-5-4-12-32-26(17)34(28(21)36)19-6-2-1-3-7-19/h1-16H,(H,30,31)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464542 (CHEMBL4280004) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)cc2)c1=O Show InChI InChI=1S/C28H18FN5O3/c29-18-3-7-20(8-4-18)34-26-17(2-1-13-32-26)16-23(28(34)36)27(35)33-19-5-9-21(10-6-19)37-24-12-15-31-25-22(24)11-14-30-25/h1-16H,(H,30,31)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464543 (CHEMBL4287907) Show SMILES Clc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)cc2)c1=O Show InChI InChI=1S/C28H18ClN5O3/c29-18-3-7-20(8-4-18)34-26-17(2-1-13-32-26)16-23(28(34)36)27(35)33-19-5-9-21(10-6-19)37-24-12-15-31-25-22(24)11-14-30-25/h1-16H,(H,30,31)(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464539 (CHEMBL4282001) Show SMILES Cn1ccc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(Cl)cc5)c4=O)cc3F)ccnc12 Show InChI InChI=1S/C29H19ClFN5O3/c1-35-14-11-21-24(10-13-33-27(21)35)39-25-9-6-19(16-23(25)31)34-28(37)22-15-17-3-2-12-32-26(17)36(29(22)38)20-7-4-18(30)5-8-20/h2-16H,1H3,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464545 (CHEMBL4293054) Show SMILES Cn1ccc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3)ccnc12 Show InChI InChI=1S/C29H20FN5O3/c1-34-16-13-23-25(12-15-32-27(23)34)38-22-10-6-20(7-11-22)33-28(36)24-17-18-3-2-14-31-26(18)35(29(24)37)21-8-4-19(30)5-9-21/h2-17H,1H3,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50464540 (CHEMBL4289873) Show SMILES Cn1ccc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc12 Show InChI InChI=1S/C29H19F2N5O3/c1-35-14-11-21-24(10-13-33-27(21)35)39-25-9-6-19(16-23(25)31)34-28(37)22-15-17-3-2-12-32-26(17)36(29(22)38)20-7-4-18(30)5-8-20/h2-16H,1H3,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cMET (unknown origin) using poly(Glu,Tyr) 4:1 substrate after 30 mins by HTFR analysis				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	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
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	633	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50464538 (CHEMBL4289577) Show SMILES Fc1ccc(cc1)-n1c2ncccc2cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O Show InChI InChI=1S/C28H17F2N5O3/c29-17-3-6-19(7-4-17)35-26-16(2-1-11-33-26)14-21(28(35)37)27(36)34-18-5-8-24(22(30)15-18)38-23-10-13-32-25-20(23)9-12-31-25/h1-15H,(H,31,32)(H,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	685	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of cKIT (unknown origin) using poly(Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay				Eur J Med Chem 143: 266-275 (2018) Article DOI: 10.1016/j.ejmech.2017.11.034 BindingDB Entry DOI: 10.7270/Q2JW8HJZ
					More data for this Ligand-Target Pair