Compile Data Set for Download or QSAR

Found 170 hits with Last Name = 'le guével' and Initial = 'r'   

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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50304109 ((Z)-5'-Nitro-1H,1'H-[2,3']biindolylidene-3,2'-dion...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314133 (CHEMBL1093713 | N-(3,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cc(C)cc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-11(2)9-12(8-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50304111 (CHEMBL593698 | N-((Z)-3,2'-Dioxo-1,3,1',2'-tetrahy...) Show SMILES CC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1 Show InChI InChI=1S/C18H13N3O3/c1-9(22)19-10-6-7-14-12(8-10)15(18(24)21-14)16-17(23)11-4-2-3-5-13(11)20-16/h2-8,20H,1H3,(H,19,22)(H,21,24)/b16-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399310 (CHEMBL2180854) Show SMILES Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1 Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314134 (CHEMBL1093041 | N-(3-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-6-5-7-12(10-11)15-13(17)8-3-4-9-14(18)16-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314133 (CHEMBL1093713 | N-(3,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cc(C)cc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-11(2)9-12(8-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314135 (CHEMBL1093359 | N-(3,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1C Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(9-11(10)2)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314134 (CHEMBL1093041 | N-(3-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-6-5-7-12(10-11)15-13(17)8-3-4-9-14(18)16-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399303 (CHEMBL2180844) Show SMILES Oc1cccnc1NC(=O)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C18H18N4O3/c23-14-8-4-9-19-16(14)21-18(25)20-12-6-3-5-11-15(12)13-7-1-2-10-22(13)17(11)24/h3-6,8-9,13,23H,1-2,7,10H2,(H2,19,20,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399312 (CHEMBL2180852) Show SMILES Brc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1 Show InChI InChI=1S/C18H17BrN4O2/c19-14-8-4-9-15(21-14)22-18(25)20-12-6-3-5-11-16(12)13-7-1-2-10-23(13)17(11)24/h3-6,8-9,13H,1-2,7,10H2,(H2,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50304121 ((Z)-5-Bromo-5'-nitro-1H,1'H-[2,3']biindolylidene-3...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccc(Br)cc2c1N=O Show InChI InChI=1S/C16H9BrN4O4/c17-7-1-3-12-10(5-7)14(20-23)15(18-12)13-9-6-8(21(24)25)2-4-11(9)19-16(13)22/h1-6,13,18H,(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314135 (CHEMBL1093359 | N-(3,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1C Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(9-11(10)2)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314136 (CHEMBL1089339 | N-Hydroxy-N'-(3-methylphenyl)octan...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C13H18N2O3/c1-10-5-4-6-11(9-10)14-12(16)7-2-3-8-13(17)15-18/h4-6,9,18H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314136 (CHEMBL1089339 | N-Hydroxy-N'-(3-methylphenyl)octan...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C13H18N2O3/c1-10-5-4-6-11(9-10)14-12(16)7-2-3-8-13(17)15-18/h4-6,9,18H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50355909 (CHEMBL1910195) Show SMILES Oc1ccc(cc1)-c1cncc(c1)-c1cc2ccc(O)cc2[nH]1 Show InChI InChI=1S/C19H14N2O2/c22-16-4-1-12(2-5-16)14-7-15(11-20-10-14)18-8-13-3-6-17(23)9-19(13)21-18/h1-11,21-23H	PDB UniProtKB/SwissProt 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
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using myelin protein and [33P-gamma]-ATP after 30 mins by scintillation ...				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399315 (CHEMBL2180849) Show SMILES O=C(Nc1cc2ccccc2cn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C22H20N4O2/c27-21-16-8-5-9-17(20(16)18-10-3-4-11-26(18)21)24-22(28)25-19-12-14-6-1-2-7-15(14)13-23-19/h1-2,5-9,12-13,18H,3-4,10-11H2,(H2,23,24,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399326 (CHEMBL2180863) Show SMILES O=C(Nc1cnccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C17H17N5O2/c23-16-11-4-3-5-12(15(11)13-6-1-2-9-22(13)16)20-17(24)21-14-10-18-7-8-19-14/h3-5,7-8,10,13H,1-2,6,9H2,(H2,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314137 (CHEMBL1091487 | N-Hydroxy-N'-(4-methoxyphenyl)octa...) Show SMILES COc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50399301 (CHEMBL2180862) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C18H18N4O2/c23-17-12-6-5-7-13(16(12)14-8-2-4-11-22(14)17)20-18(24)21-15-9-1-3-10-19-15/h1,3,5-7,9-10,14H,2,4,8,11H2,(H2,19,20,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of CDK1				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314138 (CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399301 (CHEMBL2180862) Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C18H18N4O2/c23-17-12-6-5-7-13(16(12)14-8-2-4-11-22(14)17)20-18(24)21-15-9-1-3-10-19-15/h1,3,5-7,9-10,14H,2,4,8,11H2,(H2,19,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399309 (CHEMBL2180855) Show SMILES Fc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1 Show InChI InChI=1S/C18H17FN4O2/c19-14-8-4-9-15(21-14)22-18(25)20-12-6-3-5-11-16(12)13-7-1-2-10-23(13)17(11)24/h3-6,8-9,13H,1-2,7,10H2,(H2,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50304113 (CHEMBL604270 | N-((Z)-5-Bromo-3,2'-dioxo-1,3,1',2'...) Show SMILES CC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccc(Br)cc4C3=O)c2c1 Show InChI InChI=1S/C18H12BrN3O3/c1-8(23)20-10-3-5-13-11(7-10)15(18(25)22-13)16-17(24)12-6-9(19)2-4-14(12)21-16/h2-7,21H,1H3,(H,20,23)(H,22,25)/b16-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314138 (CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50423711 (CHEMBL594403) Show SMILES O[N-]c1c([nH]c2ccccc12)C1=c2ccc(cc2=[NH+]C1=O)[N+]([O-])=O |c:13,20| Show InChI InChI=1S/C16H10N4O4/c21-16-13(9-6-5-8(20(23)24)7-12(9)18-16)15-14(19-22)10-3-1-2-4-11(10)17-15/h1-7H,(H3,17,18,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399311 (CHEMBL2180853) Show SMILES Brc1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)nc1 Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-15(20-10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314137 (CHEMBL1091487 | N-Hydroxy-N'-(4-methoxyphenyl)octa...) Show SMILES COc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314139 (CHEMBL1093042 | N-(4-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-9-12(10-8-11)15-13(17)5-3-4-6-14(18)16-19/h7-10,19H,2-6H2,1H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50304112 ((Z)-5'-Amino-1H,1'H-[2,3']biindolylidene-3,2'-dion...) Show SMILES Nc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H12N4O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,13,18H,17H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50304114 (CHEMBL445348 | N-{(Z)-3-[(E)-Hydroxyimino]-2'-oxo-...) Show SMILES CC(=O)Nc1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C18H14N4O3/c1-9(23)19-10-6-7-14-12(8-10)15(18(24)21-14)17-16(22-25)11-4-2-3-5-13(11)20-17/h2-8,15,20H,1H3,(H,19,23)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50355909 (CHEMBL1910195) Show SMILES Oc1ccc(cc1)-c1cncc(c1)-c1cc2ccc(O)cc2[nH]1 Show InChI InChI=1S/C19H14N2O2/c22-16-4-1-12(2-5-16)14-7-15(11-20-10-14)18-8-13-3-6-17(23)9-19(13)21-18/h1-11,21-23H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 and [33P-gamma]-ATP after 30 mins by scintillation counting				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399320 (CHEMBL2180869) Show SMILES O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C16H17N5O2/c22-15-10-4-3-5-11(14(10)12-6-1-2-9-21(12)15)18-16(23)19-13-7-8-17-20-13/h3-5,7-8,12H,1-2,6,9H2,(H3,17,18,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50423712 (CHEMBL593968) Show SMILES Nc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H12N4O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,17H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50355915 (CHEMBL1910201) Show SMILES Oc1ccc(cc1)-c1ccnc(c1)-c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C19H14N2O2/c22-15-3-1-12(2-4-15)13-7-8-20-18(10-13)19-11-14-9-16(23)5-6-17(14)21-19/h1-11,21-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using myelin protein and [33P-gamma]-ATP after 30 mins by scintillation ...				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314139 (CHEMBL1093042 | N-(4-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-9-12(10-8-11)15-13(17)5-3-4-6-14(18)16-19/h7-10,19H,2-6H2,1H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399308 (CHEMBL2180856) Show SMILES Fc1cnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c(F)c1 Show InChI InChI=1S/C18H16F2N4O2/c19-10-8-12(20)16(21-9-10)23-18(26)22-13-5-3-4-11-15(13)14-6-1-2-7-24(14)17(11)25/h3-5,8-9,14H,1-2,6-7H2,(H2,21,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50355916 (CHEMBL1910377) Show SMILES Oc1ccc(cc1)-c1ccnc(c1)-c1cc2ccc(O)cc2[nH]1 Show InChI InChI=1S/C19H14N2O2/c22-15-4-1-12(2-5-15)13-7-8-20-18(9-13)19-10-14-3-6-16(23)11-17(14)21-19/h1-11,21-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using myelin protein and [33P-gamma]-ATP after 30 mins by scintillation ...				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50423713 (CHEMBL606982) Show SMILES O[N-]c1c([nH]c2ccc(Br)cc12)C1=c2ccc(cc2=[NH+]C1=O)[N+]([O-])=O |c:14,21| Show InChI InChI=1S/C16H9BrN4O4/c17-7-1-4-11-10(5-7)14(20-23)15(18-11)13-9-3-2-8(21(24)25)6-12(9)19-16(13)22/h1-6H,(H3,18,19,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50355906 (CHEMBL1910192) Show SMILES Oc1ccc(cc1)-c1cncc(n1)-c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C18H13N3O2/c22-13-3-1-11(2-4-13)17-9-19-10-18(21-17)16-8-12-7-14(23)5-6-15(12)20-16/h1-10,20,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using myelin protein and [33P-gamma]-ATP after 30 mins by scintillation ...				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50355911 (CHEMBL1910197) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)-c1cc2ccc(O)cc2[nH]1 Show InChI InChI=1S/C20H16N2O3S/c1-26(24,25)18-6-3-13(4-7-18)15-8-16(12-21-11-15)19-9-14-2-5-17(23)10-20(14)22-19/h2-12,22-23H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using myelin protein and [33P-gamma]-ATP after 30 mins by scintillation ...				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50355915 (CHEMBL1910201) Show SMILES Oc1ccc(cc1)-c1ccnc(c1)-c1cc2cc(O)ccc2[nH]1 Show InChI InChI=1S/C19H14N2O2/c22-15-3-1-12(2-4-15)13-7-8-20-18(10-13)19-11-14-9-16(23)5-6-17(14)21-19/h1-11,21-23H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 and [33P-gamma]-ATP after 30 mins by scintillation counting				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50355911 (CHEMBL1910197) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cncc(c1)-c1cc2ccc(O)cc2[nH]1 Show InChI InChI=1S/C20H16N2O3S/c1-26(24,25)18-6-3-13(4-7-18)15-8-16(12-21-11-15)19-9-14-2-5-17(23)10-20(14)22-19/h2-12,22-23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 and [33P-gamma]-ATP after 30 mins by scintillation counting				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399323 (CHEMBL2180866) Show SMILES O=C(Nc1cscn1)Nc1cccc2C(=O)N3CCCCC3c12 Show InChI InChI=1S/C16H16N4O2S/c21-15-10-4-3-5-11(14(10)12-6-1-2-7-20(12)15)18-16(22)19-13-8-23-9-17-13/h3-5,8-9,12H,1-2,6-7H2,(H2,18,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399319 (CHEMBL2180870) Show SMILES Cn1ccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1 Show InChI InChI=1S/C17H19N5O2/c1-21-10-8-14(20-21)19-17(24)18-12-6-4-5-11-15(12)13-7-2-3-9-22(13)16(11)23/h4-6,8,10,13H,2-3,7,9H2,1H3,(H2,18,19,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50399322 (CHEMBL2180867) Show SMILES Cc1nc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)cs1 Show InChI InChI=1S/C17H18N4O2S/c1-10-18-14(9-24-10)20-17(23)19-12-6-4-5-11-15(12)13-7-2-3-8-21(13)16(11)22/h4-6,9,13H,2-3,7-8H2,1H3,(H2,19,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting				J Med Chem 55: 9589-606 (2012) Article DOI: 10.1021/jm3008536 BindingDB Entry DOI: 10.7270/Q28S4R2J
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50355912 (CHEMBL1910198) Show SMILES Oc1ccc(cc1)-c1cncc(n1)-c1cc2ccc(O)cc2[nH]1 Show InChI InChI=1S/C18H13N3O2/c22-13-4-1-11(2-5-13)17-9-19-10-18(21-17)16-7-12-3-6-14(23)8-15(12)20-16/h1-10,20,22-23H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli using myelin protein and [33P-gamma]-ATP after 30 mins by scintillation ...				Eur J Med Chem 46: 5416-34 (2011) Article DOI: 10.1016/j.ejmech.2011.08.048 BindingDB Entry DOI: 10.7270/Q2T1542V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50304119 ((Z)-5'-Amino-5-bromo-1H,1'H-[2,3']biindolylidene-3...) Show SMILES Nc1ccc2NC(=O)C(=C3Nc4ccc(Br)cc4C3=O)c2c1 |w:9.19| Show InChI InChI=1S/C16H10BrN3O2/c17-7-1-3-12-10(5-7)15(21)14(19-12)13-9-6-8(18)2-4-11(9)20-16(13)22/h1-6,19H,18H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de La Rochelle Curated by ChEMBL					Assay Description Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting				Bioorg Med Chem 17: 6257-63 (2009) Article DOI: 10.1016/j.bmc.2009.07.051 BindingDB Entry DOI: 10.7270/Q2BR8S9W
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314140 (CHEMBL1076794 | N-Hydroxy-N'-(2-methylphenyl)octan...) Show SMILES Cc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C13H18N2O3/c1-10-6-2-3-7-11(10)14-12(16)8-4-5-9-13(17)15-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	576	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair

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