Compile Data Set for Download or QSAR

Found 702 hits with Last Name = 'mould' and Initial = 'dp'   

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
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153906 (CHEMBL3775169) Show SMILES COc1cc2ncnc(Nc3cc(O)c(F)cc3F)c2cc1OC Show InChI InChI=1S/C16H13F2N3O3/c1-23-14-3-8-11(6-15(14)24-2)19-7-20-16(8)21-12-5-13(22)10(18)4-9(12)17/h3-7,22H,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM4627 (5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2...) Show SMILES COc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC Show InChI InChI=1S/C17H16FN3O3/c1-9-4-11(18)13(6-14(9)22)21-17-10-5-15(23-2)16(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153979 (CHEMBL3774904) Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3F)c2cc1OC Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-13-5-9(21)3-4-11(13)17/h3-8,21H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153902 (CHEMBL3775557) Show SMILES COc1cc2ncnc(Nc3c(F)ccc(O)c3F)c2cc1OC Show InChI InChI=1S/C16H13F2N3O3/c1-23-12-5-8-10(6-13(12)24-2)19-7-20-16(8)21-15-9(17)3-4-11(22)14(15)18/h3-7,22H,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153903 (CHEMBL3775336) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3F)c2cc1OC Show InChI InChI=1S/C16H13F2N3O3/c1-23-12-5-8-11(6-13(12)24-2)19-7-20-16(8)21-10-4-3-9(17)15(22)14(10)18/h3-7,22H,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4627 (5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2...) Show SMILES COc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC Show InChI InChI=1S/C17H16FN3O3/c1-9-4-11(18)13(6-14(9)22)21-17-10-5-15(23-2)16(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154001 (CHEMBL3775934) Show SMILES COc1cc2ncnc(Nc3cc(O)cc(F)c3)c2cc1OC Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-12-13(7-15(14)23-2)18-8-19-16(12)20-10-3-9(17)4-11(21)5-10/h3-8,21H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153908 (CHEMBL3774489) Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3Cl)c2cc1OC Show InChI InChI=1S/C16H14ClN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-13-5-9(21)3-4-11(13)17/h3-8,21H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154249 (CHEMBL3775879) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154246 (CHEMBL3774580) Show SMILES COc1cc2ncnc(Nc3cccc(O)c3O)c2cc1OC Show InChI InChI=1S/C16H15N3O4/c1-22-13-6-9-11(7-14(13)23-2)17-8-18-16(9)19-10-4-3-5-12(20)15(10)21/h3-8,20-21H,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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153895 (CHEMBL3774953) Show SMILES COc1cc2ncnc(Nc3c(F)ccc(O)c3Cl)c2cc1OC Show InChI InChI=1S/C16H13ClFN3O3/c1-23-12-5-8-10(6-13(12)24-2)19-7-20-16(8)21-15-9(18)3-4-11(22)14(15)17/h3-7,22H,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM4622 (3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...) Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM26477 (5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...) Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153901 (CHEMBL3775511) Show SMILES COc1cc2ncnc(Nc3c(Cl)ccc(O)c3F)c2cc1OC Show InChI InChI=1S/C16H13ClFN3O3/c1-23-12-5-8-10(6-13(12)24-2)19-7-20-16(8)21-15-9(17)3-4-11(22)14(15)18/h3-7,22H,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	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153905 (CHEMBL3775190) Show SMILES COc1cc2ncnc(Nc3cc(O)c(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C16H13Cl2N3O3/c1-23-14-3-8-11(6-15(14)24-2)19-7-20-16(8)21-12-5-13(22)10(18)4-9(12)17/h3-7,22H,1-2H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153907 (CHEMBL3774951) Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3C)c2cc1OC Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(21)6-13(10)20-17-12-7-15(22-2)16(23-3)8-14(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153897 (CHEMBL3775560) Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3Cl)c2cc1OC Show InChI InChI=1S/C17H16ClN3O3/c1-9-4-5-11(15(18)16(9)22)21-17-10-6-13(23-2)14(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50153906 (CHEMBL3775169) Show SMILES COc1cc2ncnc(Nc3cc(O)c(F)cc3F)c2cc1OC Show InChI InChI=1S/C16H13F2N3O3/c1-23-14-3-8-11(6-15(14)24-2)19-7-20-16(8)21-12-5-13(22)10(18)4-9(12)17/h3-7,22H,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 Patents Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4627 (5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2...) Show SMILES COc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC Show InChI InChI=1S/C17H16FN3O3/c1-9-4-11(18)13(6-14(9)22)21-17-10-5-15(23-2)16(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153896 (CHEMBL3775585) Show SMILES COc1cc2ncnc(Nc3c(Cl)ccc(O)c3Cl)c2cc1OC Show InChI InChI=1S/C16H13Cl2N3O3/c1-23-12-5-8-10(6-13(12)24-2)19-7-20-16(8)21-15-9(17)3-4-11(22)14(15)18/h3-7,22H,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	9.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154248 (CHEMBL235851) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(O)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154010 (CHEMBL3775903) Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,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	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154247 (CHEMBL3774563) Show SMILES COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1O Show InChI InChI=1S/C17H17N3O4/c1-22-14-5-4-10(6-13(14)21)20-17-11-7-15(23-2)16(24-3)8-12(11)18-9-19-17/h4-9,21H,1-3H3,(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	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153904 (CHEMBL3775415) Show SMILES COc1cc2ncnc(Nc3cc(O)c(C)cc3Cl)c2cc1OC Show InChI InChI=1S/C17H16ClN3O3/c1-9-4-11(18)13(6-14(9)22)21-17-10-5-15(23-2)16(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50153905 (CHEMBL3775190) Show SMILES COc1cc2ncnc(Nc3cc(O)c(Cl)cc3Cl)c2cc1OC Show InChI InChI=1S/C16H13Cl2N3O3/c1-23-14-3-8-11(6-15(14)24-2)19-7-20-16(8)21-12-5-13(22)10(18)4-9(12)17/h3-7,22H,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 Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153893 (CHEMBL3775672) Show SMILES COc1cc2ncnc(Oc3cccc(O)c3)c2cc1OC Show InChI InChI=1S/C16H14N2O4/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50153904 (CHEMBL3775415) Show SMILES COc1cc2ncnc(Nc3cc(O)c(C)cc3Cl)c2cc1OC Show InChI InChI=1S/C17H16ClN3O3/c1-9-4-11(18)13(6-14(9)22)21-17-10-5-15(23-2)16(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(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 Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM26477 (5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...) Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154234 (CHEMBL3775840) Show SMILES COc1cc2ncnc(Nc3cccc(O)c3Cl)c2cc1OC Show InChI InChI=1S/C16H14ClN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,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	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50153979 (CHEMBL3774904) Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3F)c2cc1OC Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-13-5-9(21)3-4-11(13)17/h3-8,21H,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 Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153900 (CHEMBL3774913) Show SMILES COc1cc2ncnc(Nc3cc(F)cc(O)c3C)c2cc1OC Show InChI InChI=1S/C17H16FN3O3/c1-9-12(4-10(18)5-14(9)22)21-17-11-6-15(23-2)16(24-3)7-13(11)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154245 (CHEMBL3775164) Show SMILES COc1cc2ncnc(Nc3cccc(O)c3Br)c2cc1OC Show InChI InChI=1S/C16H14BrN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,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	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153892 (CHEMBL3775376) Show SMILES COc1cc2ncnc(Sc3cccc(O)c3)c2cc1OC Show InChI InChI=1S/C16H14N2O3S/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,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	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50154000 (CHEMBL3775086) Show SMILES COc1cc2ncnc(Nc3cc(C)cc(O)c3)c2cc1OC Show InChI InChI=1S/C17H17N3O3/c1-10-4-11(6-12(21)5-10)20-17-13-7-15(22-2)16(23-3)8-14(13)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241539 (CHEMBL4084845) Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50262048 (CHEMBL3134377) Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...				Bioorg Med Chem Lett 27: 4755-4759 (2017) Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT
					More data for this Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM4627 (5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2...) Show SMILES COc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC Show InChI InChI=1S/C17H16FN3O3/c1-9-4-11(18)13(6-14(9)22)21-17-10-5-15(23-2)16(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153899 (CHEMBL3775940) Show SMILES COc1cc2ncnc(Nc3c(C)c(O)ccc3F)c2cc1OC Show InChI InChI=1S/C17H16FN3O3/c1-9-13(22)5-4-11(18)16(9)21-17-10-6-14(23-2)15(24-3)7-12(10)19-8-20-17/h4-8,22H,1-3H3,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM21 (CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50242934 (CHEMBL4066743) Show SMILES N[C@@H]1CCCN(C1)C(=O)c1cc(OCC(O)C(F)(F)F)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C19H20F3N5O3/c20-19(21,22)16(28)11-30-17-8-15(18(29)26-7-1-2-13(24)10-26)25-27(17)14-5-3-12(9-23)4-6-14/h3-6,8,13,16,28H,1-2,7,10-11,24H2/t13-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of platelet aggregation (PRP)				Bioorg Med Chem Lett 27: 3190-3195 (2017) Article DOI: 10.1016/j.bmcl.2017.05.018 BindingDB Entry DOI: 10.7270/Q2M047W8
					More data for this Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153906 (CHEMBL3775169) Show SMILES COc1cc2ncnc(Nc3cc(O)c(F)cc3F)c2cc1OC Show InChI InChI=1S/C16H13F2N3O3/c1-23-14-3-8-11(6-15(14)24-2)19-7-20-16(8)21-12-5-13(22)10(18)4-9(12)17/h3-7,22H,1-2H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153979 (CHEMBL3774904) Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3F)c2cc1OC Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-13-5-9(21)3-4-11(13)17/h3-8,21H,1-2H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50262023 (CHEMBL4071991) Show SMILES Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)| Show InChI InChI=1S/C26H31N3O/c1-18-2-8-21(9-3-18)24-16-29(26(30)23-12-6-20(15-28)7-13-23)17-25(24)22-10-4-19(14-27)5-11-22/h2-5,8-11,20,23-25H,6-7,12-13,15-17,28H2,1H3/t20-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Drug Discovery Unit, Cancer Research UK Manchester Institute, University of Manchester, Wilmslow Road, Manchester M20 4BX, UK. Electronic address: Daniel.mould@cruk.manchester.ac.uk. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal truncated LSD1 (151 to 852 residues) expressed in Escherichia coli using histone H3(1-21)K4(Me1) biotin pe...				Bioorg Med Chem Lett 27: 4755-4759 (2017) Article DOI: 10.1016/j.bmcl.2017.08.052 BindingDB Entry DOI: 10.7270/Q28918CT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50154248 (CHEMBL235851) Show SMILES COc1cc2ncnc(Nc3ccc(Cl)c(O)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,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 Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50153891 (CHEMBL3774430) Show SMILES COc1cc2ncnc(N3CCc4c3cccc4O)c2cc1OC Show InChI InChI=1S/C18H17N3O3/c1-23-16-8-12-13(9-17(16)24-2)19-10-20-18(12)21-7-6-11-14(21)4-3-5-15(11)22/h3-5,8-10,22H,6-7H2,1-2H3	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
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM4622 (3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...) Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50153906 (CHEMBL3775169) Show SMILES COc1cc2ncnc(Nc3cc(O)c(F)cc3F)c2cc1OC Show InChI InChI=1S/C16H13F2N3O3/c1-23-14-3-8-11(6-15(14)24-2)19-7-20-16(8)21-12-5-13(22)10(18)4-9(12)17/h3-7,22H,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 Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50154001 (CHEMBL3775934) Show SMILES COc1cc2ncnc(Nc3cc(O)cc(F)c3)c2cc1OC Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-12-13(7-15(14)23-2)18-8-19-16(12)20-10-3-9(17)4-11(21)5-10/h3-8,21H,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 Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...				Eur J Med Chem 112: 20-32 (2016) Article DOI: 10.1016/j.ejmech.2016.01.039 BindingDB Entry DOI: 10.7270/Q27W6F1V
					More data for this Ligand-Target Pair

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