Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50045671   

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
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50073746 (CHEMBL3409422) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(Nc3ccc4nc(C)cc(N)c4c3)n2)cc1 Show InChI InChI=1S/C25H27FN8/c1-16-13-22(27)20-14-18(5-8-23(20)29-16)30-24-21(26)15-28-25(32-24)31-17-3-6-19(7-4-17)34-11-9-33(2)10-12-34/h3-8,13-15H,9-12H2,1-2H3,(H2,27,29)(H2,28,30,31,32)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin)				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50139621 (4-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-pheno...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2)ccn1 Show InChI InChI=1S/C21H23N5O4/c1-21(2,3)17-12-18(26-30-17)25-20(28)24-13-5-7-14(8-6-13)29-15-9-10-23-16(11-15)19(27)22-4/h5-12H,1-4H3,(H,22,27)(H2,24,25,26,28)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by [33P]radiolabeled method				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50073738 (CHEMBL3409414) Show SMILES Nc1nccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)n1 Show InChI InChI=1S/C18H13ClF3N5O2/c19-14-6-3-11(9-13(14)18(20,21)22)26-17(28)25-10-1-4-12(5-2-10)29-15-7-8-24-16(23)27-15/h1-9H,(H2,23,24,27)(H2,25,26,28)	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
Sichuan University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by [33P]radiolabeled method				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50073740 (CHEMBL3409416) Show SMILES CNC(=O)c1nccc(Oc2ccc(NC(=O)Nc3nc4ccccc4s3)cc2)n1 Show InChI InChI=1S/C20H16N6O3S/c1-21-18(27)17-22-11-10-16(25-17)29-13-8-6-12(7-9-13)23-19(28)26-20-24-14-4-2-3-5-15(14)30-20/h2-11H,1H3,(H,21,27)(H2,23,24,26,28)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by [33P]radiolabeled method				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM60665 (BDBM50249542 | US9145414, R406 | US9212178, R406) Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin)				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by [33P]radiolabeled method				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50073742 (CHEMBL3409418) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4ccccc34)cc2)ccc1Cl Show InChI InChI=1S/C23H15ClF3N3O2/c24-19-10-7-15(13-18(19)23(25,26)27)30-22(31)29-14-5-8-16(9-6-14)32-21-11-12-28-20-4-2-1-3-17(20)21/h1-13H,(H2,29,30,31)	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	119	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by [33P]radiolabeled method				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50073739 (CHEMBL3409415) Show SMILES Nc1nccc(Oc2ccc(NC(=O)Nc3nc4ccccc4s3)cc2)n1 Show InChI InChI=1S/C18H14N6O2S/c19-16-20-10-9-15(23-16)26-12-7-5-11(6-8-12)21-17(25)24-18-22-13-3-1-2-4-14(13)27-18/h1-10H,(H2,19,20,23)(H2,21,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by [33P]radiolabeled method				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50073741 (CHEMBL3409417) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc(c3)C#N)cc2)ccc1Cl Show InChI InChI=1S/C20H12ClF3N4O2/c21-18-6-3-13(10-17(18)20(22,23)24)28-19(29)27-12-1-4-15(5-2-12)30-16-7-8-26-14(9-16)11-25/h1-10H,(H2,27,28,29)	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	214	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) by [33P]radiolabeled method				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50073745 (CHEMBL3409421) Show SMILES COc1cc(Nc2ncc(F)c(Nc3cc(Cl)ccc3C(N)=O)n2)cc(OC)c1OC Show InChI InChI=1S/C20H19ClFN5O4/c1-29-15-7-11(8-16(30-2)17(15)31-3)25-20-24-9-13(22)19(27-20)26-14-6-10(21)4-5-12(14)18(23)28/h4-9H,1-3H3,(H2,23,28)(H2,24,25,26,27)	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	326	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin)				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50073744 (CHEMBL3409420) Show SMILES COc1cc(Nc2ncc(F)c(Nc3cccc(c3)C(N)=O)n2)cc(OC)c1OC Show InChI InChI=1S/C20H20FN5O4/c1-28-15-8-13(9-16(29-2)17(15)30-3)25-20-23-10-14(21)19(26-20)24-12-6-4-5-11(7-12)18(22)27/h4-10H,1-3H3,(H2,22,27)(H2,23,24,25,26)	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	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin)				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50073743 (CHEMBL3409419) Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4nc(C)cc(N)c4c3)n2)cc(OC)c1OC Show InChI InChI=1S/C23H23FN6O3/c1-12-7-17(25)15-8-13(5-6-18(15)27-12)28-22-16(24)11-26-23(30-22)29-14-9-19(31-2)21(33-4)20(10-14)32-3/h5-11H,1-4H3,(H2,25,27)(H2,26,28,29,30)	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	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of SYK (unknown origin)				Eur J Med Chem 93: 523-38 (2015) Article DOI: 10.1016/j.ejmech.2015.02.019 BindingDB Entry DOI: 10.7270/Q2319XK3
					More data for this Ligand-Target Pair