Compile Data Set for Download or QSAR

Found 286 hits with Last Name = 'joberty' and Initial = 'g'   

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))	BDBM50458625 (CHEMBL4218013) Show SMILES CCOc1cc(c[nH]c1=O)-c1ccc(NC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C28H31F4N5O3/c1-3-36-9-11-37(12-10-36)17-19-5-7-21(15-22(19)28(30,31)32)34-27(39)35-24-8-6-18(13-23(24)29)20-14-25(40-4-2)26(38)33-16-20/h5-8,13-16H,3-4,9-12,17H2,1-2H3,(H,33,38)(H2,34,35,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458621 (CHEMBL4218563) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)N)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H27F4N3O3/c1-4-36-22-12-23(34)32-14-19(22)15-5-6-16(21(27)9-15)10-24(35)33-18-8-7-17(13-25(2,3)31)20(11-18)26(28,29)30/h5-9,11-12,14H,4,10,13,31H2,1-3H3,(H,32,34)(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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458627 (CHEMBL4218127) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)O)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H26F4N2O4/c1-4-36-22-12-23(33)31-14-19(22)15-5-6-16(21(27)9-15)10-24(34)32-18-8-7-17(13-25(2,3)35)20(11-18)26(28,29)30/h5-9,11-12,14,35H,4,10,13H2,1-3H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347342 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347313 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C27H28F4N2O4/c1-4-37-23-12-24(35)32-14-20(23)16-5-6-17(22(28)9-16)10-25(36)33-19-8-7-18(13-26(2,3)15-34)21(11-19)27(29,30)31/h5-9,11-12,14,34H,4,10,13,15H2,1-3H3,(H,32,35)(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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458628 (CHEMBL4212513) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(cc(c2)C(F)(F)F)-c2nnc(C)o2)c(F)c1 Show InChI InChI=1S/C25H20F4N4O4/c1-3-36-21-11-22(34)30-12-19(21)14-4-5-15(20(26)8-14)9-23(35)31-18-7-16(24-33-32-13(2)37-24)6-17(10-18)25(27,28)29/h4-8,10-12H,3,9H2,1-2H3,(H,30,34)(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458630 (CHEMBL4203429) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CS(C)(=O)=O)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C28H30F4N2O5S/c1-5-39-24-13-25(35)33-15-21(24)17-6-7-18(23(29)10-17)11-26(36)34-20-9-8-19(22(12-20)28(30,31)32)14-27(2,3)16-40(4,37)38/h6-10,12-13,15H,5,11,14,16H2,1-4H3,(H,33,35)(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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458626 (CHEMBL4214146) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(C(C)C#N)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H21F4N3O3/c1-3-35-22-11-23(33)31-13-19(22)15-4-5-16(21(26)8-15)9-24(34)32-17-6-7-18(14(2)12-30)20(10-17)25(27,28)29/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458624 (CHEMBL4205803) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3ccc(NC)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O/c1-3-35-12-14-36(15-13-35)18-21-6-10-23(16-24(21)27(28,29)30)34-26(37)33-22-8-4-19(5-9-22)20-7-11-25(31-2)32-17-20/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,31,32)(H2,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458622 (CHEMBL4213626) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CN(C)C)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H25F4N3O3/c1-4-35-22-12-23(33)30-13-19(22)15-5-6-16(21(26)9-15)10-24(34)31-18-8-7-17(14-32(2)3)20(11-18)25(27,28)29/h5-9,11-13H,4,10,14H2,1-3H3,(H,30,33)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458629 (CHEMBL4210670) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3ccc(=O)[nH]c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H28F3N5O2/c1-2-33-11-13-34(14-12-33)17-20-5-9-22(15-23(20)26(27,28)29)32-25(36)31-21-7-3-18(4-8-21)19-6-10-24(35)30-16-19/h3-10,15-16H,2,11-14,17H2,1H3,(H,30,35)(H2,31,32,36)	PDB MMDB 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347345 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cccc(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18F4N2O3/c1-2-31-19-11-20(29)27-12-17(19)13-6-7-14(18(23)8-13)9-21(30)28-16-5-3-4-15(10-16)22(24,25)26/h3-8,10-12H,2,9H2,1H3,(H,27,29)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458631 (CHEMBL4209229) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(cc(CN(C)C)c2F)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H24F5N3O3/c1-4-36-21-11-22(34)31-12-18(21)14-5-6-15(19(26)8-14)9-23(35)32-20-10-17(25(28,29)30)7-16(24(20)27)13-33(2)3/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,34)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132G] (Homo sapiens (Human))	BDBM195601 (GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...) Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	25
Albert Einstein College of Medicine					Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...				Nat Chem Biol 11: 878-86 (2015) Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM195601 (GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...) Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	25
Albert Einstein College of Medicine					Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...				Nat Chem Biol 11: 878-86 (2015) Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458630 (CHEMBL4203429) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CS(C)(=O)=O)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C28H30F4N2O5S/c1-5-39-24-13-25(35)33-15-21(24)17-6-7-18(23(29)10-17)11-26(36)34-20-9-8-19(22(12-20)28(30,31)32)14-27(2,3)16-40(4,37)38/h6-10,12-13,15H,5,11,14,16H2,1-4H3,(H,33,35)(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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM195601 (GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...) Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	25
Albert Einstein College of Medicine					Assay Description RapidFire-MS/MS measurements of mutant IDH1 and IDH2 reactions were conducted at room temperature in 384-well Greiner polypropylene microtiter plates...				Nat Chem Biol 11: 878-86 (2015) Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50458624 (CHEMBL4205803) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3ccc(NC)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O/c1-3-35-12-14-36(15-13-35)18-21-6-10-23(16-24(21)27(28,29)30)34-26(37)33-22-8-4-19(5-9-22)20-7-11-25(31-2)32-17-20/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,31,32)(H2,33,34,37)	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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458621 (CHEMBL4218563) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)N)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H27F4N3O3/c1-4-36-22-12-23(34)32-14-19(22)15-5-6-16(21(27)9-15)10-24(35)33-18-8-7-17(13-25(2,3)31)20(11-18)26(28,29)30/h5-9,11-12,14H,4,10,13,31H2,1-3H3,(H,32,34)(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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458627 (CHEMBL4218127) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)O)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H26F4N2O4/c1-4-36-22-12-23(33)31-14-19(22)15-5-6-16(21(27)9-15)10-24(34)32-18-8-7-17(13-25(2,3)35)20(11-18)26(28,29)30/h5-9,11-12,14,35H,4,10,13H2,1-3H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50458621 (CHEMBL4218563) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)N)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H27F4N3O3/c1-4-36-22-12-23(34)32-14-19(22)15-5-6-16(21(27)9-15)10-24(35)33-18-8-7-17(13-25(2,3)31)20(11-18)26(28,29)30/h5-9,11-12,14H,4,10,13,31H2,1-3H3,(H,32,34)(H,33,35)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347313 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C27H28F4N2O4/c1-4-37-23-12-24(35)32-14-20(23)16-5-6-17(22(28)9-16)10-25(36)33-19-8-7-18(13-26(2,3)15-34)21(11-19)27(29,30)31/h5-9,11-12,14,34H,4,10,13,15H2,1-3H3,(H,32,35)(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	9.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50458627 (CHEMBL4218127) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)O)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C26H26F4N2O4/c1-4-36-22-12-23(33)31-14-19(22)15-5-6-16(21(27)9-15)10-24(34)32-18-8-7-17(13-25(2,3)35)20(11-18)26(28,29)30/h5-9,11-12,14,35H,4,10,13H2,1-3H3,(H,31,33)(H,32,34)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM347342 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(on2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM347313 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C27H28F4N2O4/c1-4-37-23-12-24(35)32-14-20(23)16-5-6-17(22(28)9-16)10-25(36)33-19-8-7-18(13-26(2,3)15-34)21(11-19)27(29,30)31/h5-9,11-12,14,34H,4,10,13,15H2,1-3H3,(H,32,35)(H,33,36)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458622 (CHEMBL4213626) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CN(C)C)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H25F4N3O3/c1-4-35-22-12-23(33)30-13-19(22)15-5-6-16(21(26)9-15)10-24(34)31-18-8-7-17(14-32(2)3)20(11-18)25(27,28)29/h5-9,11-13H,4,10,14H2,1-3H3,(H,30,33)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50458625 (CHEMBL4218013) Show SMILES CCOc1cc(c[nH]c1=O)-c1ccc(NC(=O)Nc2ccc(CN3CCN(CC)CC3)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C28H31F4N5O3/c1-3-36-9-11-37(12-10-36)17-19-5-7-21(15-22(19)28(30,31)32)34-27(39)35-24-8-6-18(13-23(24)29)20-14-25(40-4-2)26(38)33-16-20/h5-8,13-16H,3-4,9-12,17H2,1-2H3,(H,33,38)(H2,34,35,39)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50458630 (CHEMBL4203429) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CS(C)(=O)=O)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C28H30F4N2O5S/c1-5-39-24-13-25(35)33-15-21(24)17-6-7-18(23(29)10-17)11-26(36)34-20-9-8-19(22(12-20)28(30,31)32)14-27(2,3)16-40(4,37)38/h6-10,12-13,15H,5,11,14,16H2,1-4H3,(H,33,35)(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	21	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458623 (CHEMBL4215099) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3ccnc(NC)c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O/c1-3-35-12-14-36(15-13-35)18-21-6-9-23(17-24(21)27(28,29)30)34-26(37)33-22-7-4-19(5-8-22)20-10-11-32-25(16-20)31-2/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,31,32)(H2,33,34,37)	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RET using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by HT...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458628 (CHEMBL4212513) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(cc(c2)C(F)(F)F)-c2nnc(C)o2)c(F)c1 Show InChI InChI=1S/C25H20F4N4O4/c1-3-36-21-11-22(34)30-12-19(21)14-4-5-15(20(26)8-14)9-23(35)31-18-7-16(24-33-32-13(2)37-24)6-17(10-18)25(27,28)29/h4-8,10-12H,3,9H2,1-2H3,(H,30,34)(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50153318 (CHEMBL3775237) Show SMILES OC(=O)c1ccncc1NCc1ccco1 Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50153322 (CHEMBL3775612) Show SMILES OC(=O)c1ccncc1NCc1ccccc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM347339 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(no2)C(C)(C)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H21F4N3O4/c1-4-32-16-9-18(30)27-11-14(16)12-5-6-13(15(23)7-12)8-19(31)28-20-10-17(29-33-20)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,31)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM195601 (GSK321 | US11311527, Cpd ID GSK321 | US11376246, C...) Show SMILES C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	25
Albert Einstein College of Medicine					Assay Description For WT IDH1 and IDH2, reactions were conducted at room temperature in 384-well Greiner black microtiter plates in a total volume of 10 μL of ass...				Nat Chem Biol 11: 878-86 (2015) Article DOI: 10.1038/nchembio.1930 BindingDB Entry DOI: 10.7270/Q2RR1X2G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50153319 (CHEMBL3775889) Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4E (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay				J Med Chem 59: 1370-87 (2016) Article DOI: 10.1021/acs.jmedchem.5b01538 BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4D (Homo sapiens (Human))	BDBM50153322 (CHEMBL3775612) Show SMILES OC(=O)c1ccncc1NCc1ccccc1 Show InChI InChI=1S/C13H12N2O2/c16-13(17)11-6-7-14-9-12(11)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of human KDM4D (11 to 341 residues) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectromet...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50153331 (CHEMBL3774552) Show SMILES OC(=O)c1ccncc1NCc1ccsc1 Show InChI InChI=1S/C11H10N2O2S/c14-11(15)9-1-3-12-6-10(9)13-5-8-2-4-16-7-8/h1-4,6-7,13H,5H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50153330 (CHEMBL3774859) Show SMILES OC(=O)c1ccncc1NCc1cccs1 Show InChI InChI=1S/C11H10N2O2S/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458626 (CHEMBL4214146) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(C(C)C#N)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H21F4N3O3/c1-3-35-22-11-23(33)31-13-19(22)15-4-5-16(21(26)8-15)9-24(34)32-17-6-7-18(14(2)12-30)20(10-17)25(27,28)29/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM347345 (2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fl...) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cccc(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C22H18F4N2O3/c1-2-31-19-11-20(29)27-12-17(19)13-6-7-14(18(23)8-13)9-21(30)28-16-5-3-4-15(10-16)22(24,25)26/h3-8,10-12H,2,9H2,1H3,(H,27,29)(H,28,30)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50458631 (CHEMBL4209229) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(cc(CN(C)C)c2F)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H24F5N3O3/c1-4-36-21-11-22(34)31-12-18(21)14-5-6-15(19(26)8-14)9-23(35)32-20-10-17(25(28,29)30)7-16(24(20)27)13-33(2)3/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,34)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RET phosphorylation in human TT cells after 2 hrs by ELISA				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50153319 (CHEMBL3775889) Show SMILES Cc1ccsc1CNc1cnccc1C(O)=O Show InChI InChI=1S/C12H12N2O2S/c1-8-3-5-17-11(8)7-14-10-6-13-4-2-9(10)12(15)16/h2-6,14H,7H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM50149917 (CHEMBL3771198) Show SMILES O=c1[nH]c(Oc2cnn(CC3CCCCC3)c2)nc2cnccc12 Show InChI InChI=1S/C23H21BrN4O6S/c1-34-23(31)18(12-21(29)28-20-11-10-16(24)13-26-20)27-22(30)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,32)33/h2-11,13,18H,12H2,1H3,(H,27,30)(H2,25,32,33)(H,26,28,29)	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	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM5C catalytic domain (1 -764 aa) (unknown origin) expressed in Sf9 cells using H3K4Me3 peptide as substrate by RFMS assay				J Med Chem 59: 1370-87 (2016) Article DOI: 10.1021/acs.jmedchem.5b01538 BindingDB Entry DOI: 10.7270/Q26D5VV2
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50153318 (CHEMBL3775237) Show SMILES OC(=O)c1ccncc1NCc1ccco1 Show InChI InChI=1S/C11H10N2O3/c14-11(15)9-3-4-12-7-10(9)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50458626 (CHEMBL4214146) Show SMILES CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(C(C)C#N)c(c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H21F4N3O3/c1-3-35-22-11-23(33)31-13-19(22)15-4-5-16(21(26)8-15)9-24(34)32-17-6-7-18(14(2)12-30)20(10-17)25(27,28)29/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,31,33)(H,32,34)	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	92	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50458629 (CHEMBL4210670) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(cc3)-c3ccc(=O)[nH]c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H28F3N5O2/c1-2-33-11-13-34(14-12-33)17-20-5-9-22(15-23(20)26(27,28)29)32-25(36)31-21-7-3-18(4-8-21)19-6-10-24(35)30-16-19/h3-10,15-16H,2,11-14,17H2,1H3,(H,30,35)(H2,31,32,36)	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	95	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KDR using cisbio TK biotin-peptide as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by...				ACS Med Chem Lett 9: 623-628 (2018) Article DOI: 10.1021/acsmedchemlett.8b00035 BindingDB Entry DOI: 10.7270/Q2TB19GW
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM50153332 (CHEMBL3775439) Show SMILES OC(=O)c1ccncc1NCc1cscn1 Show InChI InChI=1S/C10H9N3O2S/c14-10(15)8-1-2-11-4-9(8)12-3-7-5-16-6-13-7/h1-2,4-6,12H,3H2,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline R&D Curated by ChEMBL					Assay Description Inhibition of KDM4C (unknown origin) using H3K9Me3 peptide as substrate assessed as demethylation of substrate by Rapidfire mass spectrometric analys...				J Med Chem 59: 1357-69 (2016) Article DOI: 10.1021/acs.jmedchem.5b01537 BindingDB Entry DOI: 10.7270/Q2542QFT
					More data for this Ligand-Target Pair

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