Compile Data Set for Download or QSAR

Found 270 hits with Last Name = 'france' and Initial = 'd'   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397798 (CHEMBL2177836) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (Homo sapiens (Human))	BDBM50422364 (TRAPOXIN B) Show SMILES O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1 Show InChI InChI=1S/C33H40N4O6/c38-28(29-21-43-29)17-9-3-8-15-24-30(39)35-25(19-22-11-4-1-5-12-22)31(40)36-26(20-23-13-6-2-7-14-23)33(42)37-18-10-16-27(37)32(41)34-24/h1-2,4-7,11-14,24-27,29H,3,8-10,15-21H2,(H,34,41)(H,35,39)(H,36,40)/t24-,25-,26-,27+,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397783 (CHEMBL2177833) Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H22FN7O/c31-23-6-1-4-20(14-23)30(39)36-16-19-8-10-24(11-9-19)38-28(25-7-3-13-34-27(25)32)37-26-15-22(18-35-29(26)38)21-5-2-12-33-17-21/h1-15,17-18H,16H2,(H2,32,34)(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397780 (CHEMBL2177831) Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H23N7O/c31-27-25(9-5-15-33-27)28-36-26-16-23(22-8-4-14-32-18-22)19-34-29(26)37(28)24-12-10-20(11-13-24)17-35-30(38)21-6-2-1-3-7-21/h1-16,18-19H,17H2,(H2,31,33)(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474360 (CHEMBL357231) Show SMILES ONC(=O)\C=C\c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCOCC2)cc1 Show InChI InChI=1S/C25H29N3O3/c29-25(27-30)10-9-19-5-7-20(8-6-19)18-28(22-12-15-31-16-13-22)14-11-21-17-26-24-4-2-1-3-23(21)24/h1-10,17,22,26,30H,11-16,18H2,(H,27,29)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397800 (CHEMBL2177817) Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C24H18N6O/c25-21-19(8-4-14-26-21)22-29-20-9-5-15-27-23(20)30(22)18-12-10-17(11-13-18)28-24(31)16-6-2-1-3-7-16/h1-15H,(H2,25,26)(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474333 (CHEMBL140013) Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2c[nH]c3ccc(F)cc23)cc1 Show InChI InChI=1S/C20H20FN3O2/c21-17-6-7-19-18(11-17)16(13-23-19)9-10-22-12-15-3-1-14(2-4-15)5-8-20(25)24-26/h1-8,11,13,22-23,26H,9-10,12H2,(H,24,25)/b8-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474337 (CHEMBL141502) Show SMILES COc1ccc2[nH]cc(CCNCc3ccc(\C=C\C(=O)NO)cc3)c2c1 Show InChI InChI=1S/C21H23N3O3/c1-27-18-7-8-20-19(12-18)17(14-23-20)10-11-22-13-16-4-2-15(3-5-16)6-9-21(25)24-26/h2-9,12,14,22-23,26H,10-11,13H2,1H3,(H,24,25)/b9-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397782 (CHEMBL2177834) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4ccccc4)cc3)c2n1 Show InChI InChI=1S/C33H27N7O2/c1-21(41)37-25-10-5-9-24(19-25)28-16-17-29-32(38-28)40(31(39-29)27-11-6-18-35-30(27)34)26-14-12-22(13-15-26)20-36-33(42)23-7-3-2-4-8-23/h2-19H,20H2,1H3,(H2,34,35)(H,36,42)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397794 (CHEMBL2177827) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4ccccc4)cc3)c2n1 Show InChI InChI=1S/C33H27N7O2/c1-21(41)36-25-10-5-7-23(20-25)28-16-17-29-33(38-28)40(32(39-29)27-11-6-18-35-31(27)34)26-14-12-22(13-15-26)19-30(42)37-24-8-3-2-4-9-24/h2-18,20H,19H2,1H3,(H2,34,35)(H,36,41)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397796 (CHEMBL2177828) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt 1 in human A2780 cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397794 (CHEMBL2177827) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4ccccc4)cc3)c2n1 Show InChI InChI=1S/C33H27N7O2/c1-21(41)36-25-10-5-7-23(20-25)28-16-17-29-33(38-28)40(32(39-29)27-11-6-18-35-31(27)34)26-14-12-22(13-15-26)19-30(42)37-24-8-3-2-4-9-24/h2-18,20H,19H2,1H3,(H2,34,35)(H,36,41)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474351 (CHEMBL140014) Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2coc3ccccc23)cc1 Show InChI InChI=1S/C20H20N2O3/c23-20(22-24)10-9-15-5-7-16(8-6-15)13-21-12-11-17-14-25-19-4-2-1-3-18(17)19/h1-10,14,21,24H,11-13H2,(H,22,23)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397796 (CHEMBL2177828) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43)	PDB UniProtKB/SwissProt 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
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397798 (CHEMBL2177836) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474359 (CHEMBL143255) Show SMILES ONC(=O)\C=C\c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCCCC2)cc1 Show InChI InChI=1S/C26H31N3O2/c30-26(28-31)15-14-20-10-12-21(13-11-20)19-29(23-6-2-1-3-7-23)17-16-22-18-27-25-9-5-4-8-24(22)25/h4-5,8-15,18,23,27,31H,1-3,6-7,16-17,19H2,(H,28,30)/b15-14+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50134227 ((E)-N-Hydroxy-3-[4-({[2-(1H-indol-3-yl)-ethyl]-iso...) Show SMILES CC(C)N(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C23H27N3O2/c1-17(2)26(14-13-20-15-24-22-6-4-3-5-21(20)22)16-19-9-7-18(8-10-19)11-12-23(27)25-28/h3-12,15,17,24,28H,13-14,16H2,1-2H3,(H,25,27)/b12-11+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM323704 (US10188756, Compound CN107) Show SMILES Cn1cc(CCNCc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12 Show InChI InChI=1S/C21H23N3O2/c1-24-15-18(19-4-2-3-5-20(19)24)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)23-26/h2-11,15,22,26H,12-14H2,1H3,(H,23,25)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474346 (CHEMBL140566) Show SMILES CC(NCCc1c[nH]c2ccccc12)c1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15(17-9-6-16(7-10-17)8-11-21(25)24-26)22-13-12-18-14-23-20-5-3-2-4-19(18)20/h2-11,14-15,22-23,26H,12-13H2,1H3,(H,24,25)/b11-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397790 (CHEMBL2177819) Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H20N6O/c26-22-20(8-4-14-27-22)23-30-21-9-5-15-28-24(21)31(23)19-12-10-17(11-13-19)16-29-25(32)18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397796 (CHEMBL2177828) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)37-24-7-2-5-22(18-24)28-14-15-29-33(39-28)41(32(40-29)27-9-4-16-36-31(27)35)26-12-10-21(11-13-26)17-30(43)38-25-8-3-6-23(34)19-25/h2-16,18-19H,17H2,1H3,(H2,35,36)(H,37,42)(H,38,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397793 (CHEMBL2177835) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C31H24N6O/c32-28-25(12-7-19-33-28)29-36-27-18-17-26(22-8-3-1-4-9-22)35-30(27)37(29)24-15-13-21(14-16-24)20-34-31(38)23-10-5-2-6-11-23/h1-19H,20H2,(H2,32,33)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474348 (CHEMBL140088) Show SMILES CC(Cc1c[nH]c2ccccc12)NCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15(12-18-14-23-20-5-3-2-4-19(18)20)22-13-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,14-15,22-23,26H,12-13H2,1H3,(H,24,25)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474361 (CHEMBL348256) Show SMILES OCCN(CCc1cnc2ccccc2c1)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C23H25N3O3/c27-14-13-26(12-11-20-15-21-3-1-2-4-22(21)24-16-20)17-19-7-5-18(6-8-19)9-10-23(28)25-29/h1-10,15-16,27,29H,11-14,17H2,(H,25,28)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397792 (CHEMBL2177829) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H23N7O/c31-28-24(9-5-17-33-28)29-36-26-15-14-25(21-6-4-16-32-19-21)35-30(26)37(29)23-12-10-20(11-13-23)18-27(38)34-22-7-2-1-3-8-22/h1-17,19H,18H2,(H2,31,33)(H,34,38)	PDB UniProtKB/SwissProt 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
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397798 (CHEMBL2177836) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 in human A2780 cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397783 (CHEMBL2177833) Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H22FN7O/c31-23-6-1-4-20(14-23)30(39)36-16-19-8-10-24(11-9-19)38-28(25-7-3-13-34-27(25)32)37-26-15-22(18-35-29(26)38)21-5-2-12-33-17-21/h1-15,17-18H,16H2,(H2,32,34)(H,36,39)	PDB UniProtKB/SwissProt 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
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397799 (CHEMBL2177825) Show SMILES Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H19BrN6O/c26-18-13-21-24(29-15-18)32(23(31-21)20-7-4-12-28-22(20)27)19-10-8-16(9-11-19)14-30-25(33)17-5-2-1-3-6-17/h1-13,15H,14H2,(H2,27,28)(H,30,33)	PDB UniProtKB/SwissProt 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
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474338 (CHEMBL343823) Show SMILES OC[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O3/c25-14-18(11-17-13-23-20-4-2-1-3-19(17)20)22-12-16-7-5-15(6-8-16)9-10-21(26)24-27/h1-10,13,18,22-23,25,27H,11-12,14H2,(H,24,26)/b10-9+/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397787 (CHEMBL2177832) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397788 (CHEMBL2177818) Show SMILES Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C25H20N6O/c26-23-20(8-4-14-27-23)24-30-21-9-5-15-28-25(21)31(24)19-12-10-17(11-13-19)16-22(32)29-18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474357 (CHEMBL343068) Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C19H20N2O4/c22-19(21-23)8-6-14-1-3-16(4-2-14)12-20-10-9-15-5-7-17-18(11-15)25-13-24-17/h1-8,11,20,23H,9-10,12-13H2,(H,21,22)/b8-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474353 (CHEMBL141087) Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2c[nH]c3ccc(OCc4ccccc4)cc23)cc1 Show InChI InChI=1S/C27H27N3O3/c31-27(30-32)13-10-20-6-8-21(9-7-20)17-28-15-14-23-18-29-26-12-11-24(16-25(23)26)33-19-22-4-2-1-3-5-22/h1-13,16,18,28-29,32H,14-15,17,19H2,(H,30,31)/b13-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397780 (CHEMBL2177831) Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H23N7O/c31-27-25(9-5-15-33-27)28-36-26-16-23(22-8-4-14-32-18-22)19-34-29(26)37(28)24-12-10-20(11-13-24)17-35-30(38)21-6-2-1-3-7-21/h1-16,18-19H,17H2,(H2,31,33)(H,35,38)	PDB UniProtKB/SwissProt 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
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397787 (CHEMBL2177832) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397798 (CHEMBL2177836) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt 1 in human A2780 cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397779 (CHEMBL2177830) Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C31H24N6O/c32-28-26(12-7-17-33-28)29-36-27-18-24(22-8-3-1-4-9-22)20-34-30(27)37(29)25-15-13-21(14-16-25)19-35-31(38)23-10-5-2-6-11-23/h1-18,20H,19H2,(H2,32,33)(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397787 (CHEMBL2177832) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H23N7O/c31-27-24(9-5-17-33-27)28-36-26-15-14-25(22-8-4-16-32-19-22)35-29(26)37(28)23-12-10-20(11-13-23)18-34-30(38)21-6-2-1-3-7-21/h1-17,19H,18H2,(H2,31,33)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 in human A2780 cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397793 (CHEMBL2177835) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C31H24N6O/c32-28-25(12-7-19-33-28)29-36-27-18-17-26(22-8-3-1-4-9-22)35-30(27)37(29)24-15-13-21(14-16-24)20-34-31(38)23-10-5-2-6-11-23/h1-19H,20H2,(H2,32,33)(H,34,38)	PDB UniProtKB/SwissProt 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
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474362 (CHEMBL143283) Show SMILES ONC(=O)\C=C\c1ccc(CNCCCCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C22H25N3O2/c26-22(25-27)13-12-17-8-10-18(11-9-17)15-23-14-4-3-5-19-16-24-21-7-2-1-6-20(19)21/h1-2,6-13,16,23-24,27H,3-5,14-15H2,(H,25,26)/b13-12+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474334 (CHEMBL142931) Show SMILES Cc1nc2ccccc2n1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C20H22N4O2/c1-15-22-18-4-2-3-5-19(18)24(15)13-12-21-14-17-8-6-16(7-9-17)10-11-20(25)23-26/h2-11,21,26H,12-14H2,1H3,(H,23,25)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474364 (CHEMBL358059) Show SMILES OC[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O3/c25-14-18(11-17-13-23-20-4-2-1-3-19(17)20)22-12-16-7-5-15(6-8-16)9-10-21(26)24-27/h1-10,13,18,22-23,25,27H,11-12,14H2,(H,24,26)/b10-9+/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397798 (CHEMBL2177836) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397798 (CHEMBL2177836) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4cccc(F)c4)cc3)c2n1 Show InChI InChI=1S/C33H26FN7O2/c1-20(42)38-25-8-3-5-22(18-25)28-14-15-29-32(39-28)41(31(40-29)27-9-4-16-36-30(27)35)26-12-10-21(11-13-26)19-37-33(43)23-6-2-7-24(34)17-23/h2-18H,19H2,1H3,(H2,35,36)(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt 1 in human AN3CA cells assessed as phosphorylation of Akt at T308 after 2 hrs by Western Blot analysis				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397783 (CHEMBL2177833) Show SMILES Nc1ncccc1-c1nc2cc(cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)-c1cccnc1 Show InChI InChI=1S/C30H22FN7O/c31-23-6-1-4-20(14-23)30(39)36-16-19-8-10-24(11-9-19)38-28(25-7-3-13-34-27(25)32)37-26-15-22(18-35-29(26)38)21-5-2-12-33-17-21/h1-15,17-18H,16H2,(H2,32,34)(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 in human AN3CA cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397794 (CHEMBL2177827) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CC(=O)Nc4ccccc4)cc3)c2n1 Show InChI InChI=1S/C33H27N7O2/c1-21(41)36-25-10-5-7-23(20-25)28-16-17-29-33(38-28)40(32(39-29)27-11-6-18-35-31(27)34)26-14-12-22(13-15-26)19-30(42)37-24-8-3-2-4-9-24/h2-18,20H,19H2,1H3,(H2,34,35)(H,36,41)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 in human A2780 cells assessed as phosphorylation of Akt at S473 after 2 hrs by Western Blot analysis				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50474355 (CHEMBL142120) Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C20H21N3O2/c24-20(23-25)10-9-15-5-7-16(8-6-15)14-21-12-11-18-13-17-3-1-2-4-19(17)22-18/h1-10,13,21-22,25H,11-12,14H2,(H,23,24)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates				J Med Chem 46: 4609-24 (2003) Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397782 (CHEMBL2177834) Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CNC(=O)c4ccccc4)cc3)c2n1 Show InChI InChI=1S/C33H27N7O2/c1-21(41)37-25-10-5-9-24(19-25)28-16-17-29-32(38-28)40(31(39-29)27-11-6-18-35-30(27)34)26-14-12-22(13-15-26)20-36-33(42)23-7-3-2-4-8-23/h2-19H,20H2,1H3,(H2,34,35)(H,36,42)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt2 (1 to 481) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 270 total )  |  Next  |  Last  >>

Jump to: