Compile Data Set for Download or QSAR

Found 406 hits with Last Name = 'lafrance' and Initial = 'lv'   

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
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM25004 (3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...) Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N Show InChI InChI=1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-5 (Homo sapiens (Human))	BDBM24994 (4-[1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,...) Show SMILES CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N Show InChI InChI=1S/C16H21N7O2/c1-2-23-14-11(20-16(23)13-15(17)22-25-21-13)7-19-8-12(14)24-9-10-3-5-18-6-4-10/h7-8,10,18H,2-6,9H2,1H3,(H2,17,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25004 (3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...) Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N Show InChI InChI=1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25009 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(2-aminoetho...) Show SMILES CCn1c(nc2c(ncc(OCCN)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C17H21N7O3/c1-4-24-14-11(26-8-7-18)9-20-10(5-6-17(2,3)25)12(14)21-16(24)13-15(19)23-27-22-13/h9,25H,4,7-8,18H2,1-3H3,(H2,19,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25010 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[(3S)-3-amin...) Show SMILES CCn1c(nc2c(ncc(OCC[C@@H](N)Cc3ccccc3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C25H29N7O3/c1-4-32-22-19(34-13-11-17(26)14-16-8-6-5-7-9-16)15-28-18(10-12-25(2,3)33)20(22)29-24(32)21-23(27)31-35-30-21/h5-9,15,17,33H,4,11,13-14,26H2,1-3H3,(H2,27,31)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25014 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3R...) Show SMILES CCn1c(nc2c(ncc(OC[C@@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM24994 (4-[1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,...) Show SMILES CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N Show InChI InChI=1S/C16H21N7O2/c1-2-23-14-11(20-16(23)13-15(17)22-25-21-13)7-19-8-12(14)24-9-10-3-5-18-6-4-10/h7-8,10,18H,2-6,9H2,1H3,(H2,17,22)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-5 (Homo sapiens (Human))	BDBM24991 (4-(7-{[(3R)-3-aminopyrrolidin-1-yl]carbonyl}-1-eth...) Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N |r| Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25016 ((2S)-3-[(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-et...) Show SMILES CCn1c(nc2c(ncc(OCCCNC[C@H](O)CO)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H29N7O5/c1-4-28-18-15(32-9-5-8-23-10-13(30)12-29)11-24-14(6-7-21(2,3)31)16(18)25-20(28)17-19(22)27-33-26-17/h11,13,23,29-31H,4-5,8-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25010 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[(3S)-3-amin...) Show SMILES CCn1c(nc2c(ncc(OCC[C@@H](N)Cc3ccccc3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C25H29N7O3/c1-4-32-22-19(34-13-11-17(26)14-16-8-6-5-7-9-16)15-28-18(10-12-25(2,3)33)20(22)29-24(32)21-23(27)31-35-30-21/h5-9,15,17,33H,4,11,13-14,26H2,1-3H3,(H2,27,31)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25015 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-{...) Show SMILES CCn1c(nc2c(ncc(OCCCNCCc3ccc(OC)cc3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C27H33N7O4/c1-5-34-24-21(37-16-6-14-29-15-12-18-7-9-19(36-4)10-8-18)17-30-20(11-13-27(2,3)35)22(24)31-26(34)23-25(28)33-38-32-23/h7-10,17,29,35H,5-6,12,14-16H2,1-4H3,(H2,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM24991 (4-(7-{[(3R)-3-aminopyrrolidin-1-yl]carbonyl}-1-eth...) Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N |r| Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM24990 (2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(met...) Show SMILES CCn1c(nc2cncc(C(=O)NCCNC)c12)-c1nonc1N Show InChI InChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25016 ((2S)-3-[(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-et...) Show SMILES CCn1c(nc2c(ncc(OCCCNC[C@H](O)CO)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H29N7O5/c1-4-28-18-15(32-9-5-8-23-10-13(30)12-29)11-24-14(6-7-21(2,3)31)16(18)25-20(28)17-19(22)27-33-26-17/h11,13,23,29-31H,4-5,8-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25003 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...) Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C18H23N7O3/c1-4-25-15-12(27-9-5-8-19)10-21-11(6-7-18(2,3)26)13(15)22-17(25)14-16(20)24-28-23-14/h10,26H,4-5,8-9,19H2,1-3H3,(H2,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM25005 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...) Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N Show InChI InChI=1S/C17H21N7O3/c1-2-24-15-12(26-9-5-7-18)10-20-11(6-3-4-8-25)13(15)21-17(24)14-16(19)23-27-22-14/h10,25H,2,4-5,7-9,18H2,1H3,(H2,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Rattus norvegicus (Rat))	BDBM24995 (2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(piperi...) Show SMILES CCn1c(nc2cncc(C(=O)NC3CCNCC3)c12)-c1nonc1N Show InChI InChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-9-3-5-18-6-4-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25015 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-{...) Show SMILES CCn1c(nc2c(ncc(OCCCNCCc3ccc(OC)cc3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C27H33N7O4/c1-5-34-24-21(37-16-6-14-29-15-12-18-7-9-19(36-4)10-8-18)17-30-20(11-13-27(2,3)35)22(24)31-26(34)23-25(28)33-38-32-23/h7-10,17,29,35H,5-6,12,14-16H2,1-4H3,(H2,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25011 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pyr...) Show SMILES CCn1c(nc2c(ncc(OCC3CCNC3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C20H25N7O3/c1-4-27-17-14(29-11-12-6-8-22-9-12)10-23-13(5-7-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h10,12,22,28H,4,6,8-9,11H2,1-3H3,(H2,21,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25012 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...) Show SMILES CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM24989 (4-[1-ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]...) Show SMILES CCn1c(nc2cncc(OC3CCNCC3)c12)-c1nonc1N Show InChI InChI=1S/C15H19N7O2/c1-2-22-13-10(19-15(22)12-14(16)21-24-20-12)7-18-8-11(13)23-9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3,(H2,16,21)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25012 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...) Show SMILES CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-5 (Homo sapiens (Human))	BDBM24996 (4-{1-ethyl-7-[(piperidin-4-ylamino)methyl]-1H-imid...) Show SMILES CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N Show InChI InChI=1S/C16H22N8O/c1-2-24-14-10(8-20-11-3-5-18-6-4-11)7-19-9-12(14)21-16(24)13-15(17)23-25-22-13/h7,9,11,18,20H,2-6,8H2,1H3,(H2,17,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25008 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...) Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25007 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(4-aminobuto...) Show SMILES CCn1c(nc2c(ncc(OCCCCN)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C19H25N7O3/c1-4-26-16-13(28-10-6-5-9-20)11-22-12(7-8-19(2,3)27)14(16)23-18(26)15-17(21)25-29-24-15/h11,27H,4-6,9-10,20H2,1-3H3,(H2,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25007 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(4-aminobuto...) Show SMILES CCn1c(nc2c(ncc(OCCCCN)c12)C#CC(C)(C)O)-c1nonc1N Show InChI InChI=1S/C19H25N7O3/c1-4-26-16-13(28-10-6-5-9-20)11-22-12(7-8-19(2,3)27)14(16)23-18(26)15-17(21)25-29-24-15/h11,27H,4-6,9-10,20H2,1-3H3,(H2,21,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...				J Med Chem 51: 5663-79 (2008) Article DOI: 10.1021/jm8004527 BindingDB Entry DOI: 10.7270/Q29G5K3H
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259367 (US9505745, 44 | US9505745, 45 | US9790212, Example...) Show SMILES CCC([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(2.06,-3.32,;1.29,-1.98,;-.25,-1.98,;-1.02,-3.32,;-2.56,-3.32,;-3.33,-4.65,;-2.56,-5.98,;-1.02,-5.98,;-.25,-4.65,;-3.33,-7.32,;-2.56,-8.65,;-4.87,-7.32,;-1.02,-.65,;-2.56,-.65,;-3.04,.82,;-1.79,1.72,;-1.79,3.26,;-3.13,4.03,;-.46,4.03,;-.46,5.57,;.87,6.34,;.87,7.88,;-.46,8.65,;2.21,8.65,;3.54,7.88,;4.87,8.65,;3.54,6.34,;2.21,5.57,;2.21,4.03,;-.55,.82,;.79,1.59,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property (No. 2) Limited US Patent					Assay Description Protocol 2: Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Hu...				US Patent US9505745 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z3T
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259356 (US9505745, 33 | US9790212, Example 33) Show SMILES C\C=C(/C1CCNCC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C22H29N3O2S/c1-5-17(16-6-8-23-9-7-16)20-15(4)19(12-28-20)21(26)24-11-18-13(2)10-14(3)25-22(18)27/h5,10,12,16,23H,6-9,11H2,1-4H3,(H,24,26)(H,25,27)/b17-5+	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Intellectual Property (No. 2) Limited US Patent					Assay Description Protocol 2: Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Hu...				US Patent US9505745 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z3T
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM347682 (N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)met...) Show SMILES CCN(C1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:6.9,(4.8,8.93,;4.03,7.6,;2.49,7.6,;1.72,6.27,;.18,6.27,;-.59,4.93,;.18,3.6,;1.72,3.6,;2.49,4.93,;-.59,2.27,;.18,.93,;-2.13,2.27,;1.72,8.93,;.18,8.93,;-.3,10.4,;.95,11.3,;.95,12.84,;2.28,13.61,;-.39,13.61,;-.39,15.15,;-1.72,15.92,;-1.72,17.46,;-.39,18.23,;-3.05,18.23,;-4.39,17.46,;-5.72,18.23,;-4.39,15.92,;-3.05,15.15,;-3.05,13.61,;2.19,10.4,;3.53,11.17,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259335 (US9505745, 12 | US9790212, Example 12) Show SMILES CCN(C1CCNCC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C21H30N4O2S/c1-5-25(16-6-8-22-9-7-16)21-15(4)18(12-28-21)19(26)23-11-17-13(2)10-14(3)24-20(17)27/h10,12,16,22H,5-9,11H2,1-4H3,(H,23,26)(H,24,27)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259342 (US9505745, 19 | US9790212, Example 19) Show SMILES CCN(C1CCOCC1)c1sc(Br)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C21H28BrN3O3S/c1-5-25(15-6-8-28-9-7-15)21-14(4)17(18(22)29-21)20(27)23-11-16-12(2)10-13(3)24-19(16)26/h10,15H,5-9,11H2,1-4H3,(H,23,27)(H,24,26)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259355 (US9505745, 32 | US9790212, Example 32) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C |r,wU:3.2,wD:6.9,(5.55,-2.37,;4.46,-1.28,;2.98,-1.67,;2.58,-3.16,;3.67,-4.25,;3.27,-5.74,;1.78,-6.14,;.69,-5.05,;1.09,-3.56,;1.38,-7.62,;2.47,-8.71,;-.11,-8.02,;1.89,-.59,;.35,-.59,;-.13,.88,;1.12,1.78,;1.12,3.32,;2.45,4.09,;-.22,4.09,;-.22,5.63,;-1.55,6.4,;-1.55,7.94,;-.22,8.71,;-2.88,8.71,;-4.22,7.94,;-5.55,8.71,;-4.22,6.4,;-5.55,5.63,;-2.88,5.63,;-2.88,4.09,;2.36,.88,;3.7,1.65,)| Show InChI InChI=1S/C25H38N4O2S/c1-8-29(20-11-9-19(10-12-20)27(5)6)25-18(4)22(15-32-25)23(30)26-14-21-16(2)13-17(3)28(7)24(21)31/h13,15,19-20H,8-12,14H2,1-7H3,(H,26,30)/t19-,20-	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259356 (US9505745, 33 | US9790212, Example 33) Show SMILES C\C=C(/C1CCNCC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C Show InChI InChI=1S/C22H29N3O2S/c1-5-17(16-6-8-23-9-7-16)20-15(4)19(12-28-20)21(26)24-11-18-13(2)10-14(3)25-22(18)27/h5,10,12,16,23H,6-9,11H2,1-4H3,(H,24,26)(H,25,27)/b17-5+	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259359 (US9505745, 36 | US9790212, Example 36) Show SMILES C\C=C(/[C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(7.71,-2.37,;6.62,-1.28,;5.14,-1.67,;4.74,-3.16,;3.25,-3.56,;2.85,-5.05,;3.94,-6.14,;5.43,-5.74,;5.83,-4.25,;3.54,-7.62,;4.63,-8.71,;2.05,-8.02,;4.05,-.59,;2.51,-.59,;2.03,.88,;3.28,1.78,;3.28,3.32,;1.94,4.09,;4.61,4.09,;4.61,5.63,;5.94,6.4,;5.94,7.94,;4.61,8.71,;7.28,8.71,;8.61,7.94,;9.94,8.71,;8.61,6.4,;7.28,5.63,;7.28,4.09,;4.52,.88,;5.86,1.65,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259367 (US9505745, 44 | US9505745, 45 | US9790212, Example...) Show SMILES CCC([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(2.06,-3.32,;1.29,-1.98,;-.25,-1.98,;-1.02,-3.32,;-2.56,-3.32,;-3.33,-4.65,;-2.56,-5.98,;-1.02,-5.98,;-.25,-4.65,;-3.33,-7.32,;-2.56,-8.65,;-4.87,-7.32,;-1.02,-.65,;-2.56,-.65,;-3.04,.82,;-1.79,1.72,;-1.79,3.26,;-3.13,4.03,;-.46,4.03,;-.46,5.57,;.87,6.34,;.87,7.88,;-.46,8.65,;2.21,8.65,;3.54,7.88,;4.87,8.65,;3.54,6.34,;2.21,5.57,;2.21,4.03,;-.55,.82,;.79,1.59,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM347682 (N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)met...) Show SMILES CCN(C1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C |r,wU:6.9,(4.8,8.93,;4.03,7.6,;2.49,7.6,;1.72,6.27,;.18,6.27,;-.59,4.93,;.18,3.6,;1.72,3.6,;2.49,4.93,;-.59,2.27,;.18,.93,;-2.13,2.27,;1.72,8.93,;.18,8.93,;-.3,10.4,;.95,11.3,;.95,12.84,;2.28,13.61,;-.39,13.61,;-.39,15.15,;-1.72,15.92,;-1.72,17.46,;-.39,18.23,;-3.05,18.23,;-4.39,17.46,;-5.72,18.23,;-4.39,15.92,;-3.05,15.15,;-3.05,13.61,;2.19,10.4,;3.53,11.17,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259339 (US9505745, 16 | US9790212, Example 16) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1csc(N(CC)[C@H]2CC[C@@H](CC2)N(C)C)c1C |r,wU:25.29,wD:22.22,(10.2,-4.23,;9.43,-2.9,;7.89,-2.9,;7.12,-1.57,;8.21,-.48,;7.81,1.01,;8.9,2.1,;6.32,1.41,;5.23,.32,;3.75,.72,;5.63,-1.17,;4.54,-2.26,;4.94,-3.74,;3.85,-4.83,;2.37,-4.43,;4.25,-6.32,;3.35,-7.57,;4.25,-8.81,;5.72,-8.34,;7.05,-9.11,;8.38,-8.34,;9.72,-9.11,;7.05,-10.65,;5.72,-11.42,;5.72,-12.96,;7.05,-13.73,;8.38,-12.96,;8.38,-11.42,;7.05,-15.27,;8.38,-16.04,;5.72,-16.04,;5.72,-6.8,;7.05,-6.03,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 (Homo sapiens (Human))	BDBM259341 (US9505745, 18 | US9790212, Example 18) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1scc(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c1C |r,wU:6.9,wD:3.2,(7.97,-10.65,;6.88,-9.56,;5.4,-9.96,;5,-11.45,;3.51,-11.84,;3.11,-13.33,;4.2,-14.42,;5.69,-14.02,;6.09,-12.53,;3.8,-15.91,;4.89,-17,;2.31,-16.31,;4.31,-8.87,;2.77,-8.87,;2.29,-7.4,;3.54,-6.5,;3.54,-4.96,;2.2,-4.19,;4.87,-4.19,;4.87,-2.65,;6.2,-1.88,;7.54,-2.65,;7.54,-4.19,;8.87,-4.96,;8.87,-1.88,;8.87,-.34,;10.21,.43,;7.54,.43,;6.2,-.34,;4.87,.43,;4.78,-7.4,;6.27,-7.01,)| Show InChI	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED US Patent					Assay Description Compounds contained herein were evaluated for their ability to inhibit the methyltransferase activity of EZH2 within the PRC2 complex. Human PRC2 com...				US Patent US9790212 (2017) BindingDB Entry DOI: 10.7270/Q2PZ5BZ2
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439129 ((R)-5-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl...) Show SMILES C[C@H](C1CCN(CC(C)(C)C)CC1)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439130 ((R)-2-(1-(1-(Cyclobutylmethyl)piperidin-4-yl)ethyl...) Show SMILES C[C@H](C1CCN(CC2CCC2)CC1)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439132 ((R)-5-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl...) Show SMILES CC(C)CN1CCC(CC1)[C@@H](C)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439133 ((R)-2-(1-(1-(Cyclopentylmethyl)piperidin-4-yl)ethy...) Show SMILES C[C@H](C1CCN(CC2CCCC2)CC1)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439163 ((R)-5-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl...) Show SMILES CCC(C)(C)CN1CCC(CC1)[C@@H](C)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439164 ((R)-5-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl...) Show SMILES C[C@H](C1CCN(CC(C)(C)F)CC1)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439165 ((R)-2-(1-(1-(Cyclopropylmethyl)piperidin-4-yl)ethy...) Show SMILES C[C@H](C1CCN(CC2CC2)CC1)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439169 ((R)-5-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl...) Show SMILES C[C@H](C1CCN(CC2(C)CCCC2)CC1)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439190 ((R)-2-(1-(1-(Bicyclo[2.2.2]octan-1-ylmethyl)piperi...) Show SMILES C[C@H](C1CCN(CC23CCC(CC2)CC3)CC1)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM439192 ((R)-5-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl...) Show SMILES C[C@H](C1CCN(CC2(C)CCC2)CC1)c1sc2CCCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED US Patent					Assay Description 1. Prepare 10 mM stock of compounds from solid in 100% DMSO.2. Set up an 11-point serial dilution (1:4 dilution, top concentration 10 mM) in 100% DMS...				US Patent US10604531 (2020) BindingDB Entry DOI: 10.7270/Q23X89N4
					More data for this Ligand-Target Pair

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