Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2029   

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-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16230 ((4-chlorophenyl)[4-(9H-purin-6-yl)phenyl]methanami...) Show SMILES NC(c1ccc(Cl)cc1)c1ccc(cc1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C18H14ClN5/c19-14-7-5-12(6-8-14)15(20)11-1-3-13(4-2-11)16-17-18(23-9-21-16)24-10-22-17/h1-10,15H,20H2,(H,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16231 (2-(4-chlorophenyl)-N-methyl-2-[4-(9H-purin-6-yl)ph...) Show SMILES CNCC(c1ccc(Cl)cc1)c1ccc(cc1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C20H18ClN5/c1-22-10-17(14-6-8-16(21)9-7-14)13-2-4-15(5-3-13)18-19-20(25-11-23-18)26-12-24-19/h2-9,11-12,17,22H,10H2,1H3,(H,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16232 (6-phenylpurine compound 20 | 6-{4-[4-(4-chlorophen...) Show SMILES Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C22H20ClN5/c23-18-7-5-17(6-8-18)22(9-11-24-12-10-22)16-3-1-15(2-4-16)19-20-21(27-13-25-19)28-14-26-20/h1-8,13-14,24H,9-12H2,(H,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16222 (CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...) Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16228 (1-phenyl-1-[4-(9H-purin-6-yl)phenyl]methanamine | ...) Show SMILES NC(c1ccccc1)c1ccc(cc1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16229 (2-phenyl-1-[4-(9H-purin-6-yl)phenyl]ethan-1-amine ...) Show SMILES NC(Cc1ccccc1)c1ccc(cc1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C19H17N5/c20-16(10-13-4-2-1-3-5-13)14-6-8-15(9-7-14)17-18-19(23-11-21-17)24-12-22-18/h1-9,11-12,16H,10,20H2,(H,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15211 (CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...) Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16225 (6-phenylpurine compound 7 | N-methyl-1-[3-(9H-puri...) Show SMILES CNCc1cccc(c1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C13H13N5/c1-14-6-9-3-2-4-10(5-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16227 (2-[3-(9H-purin-6-yl)phenyl]ethan-1-amine | 2-[3-(9...) Show SMILES NCCc1cccc(c1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C13H13N5/c14-5-4-9-2-1-3-10(6-9)11-12-13(17-7-15-11)18-8-16-12/h1-3,6-8H,4-5,14H2,(H,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16224 (6-phenylpurine compound 6 | N-methyl-1-[4-(9H-puri...) Show SMILES CNCc1ccc(cc1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C13H13N5/c1-14-6-9-2-4-10(5-3-9)11-12-13(17-7-15-11)18-8-16-12/h2-5,7-8,14H,6H2,1H3,(H,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16226 (2-[4-(9H-purin-6-yl)phenyl]ethan-1-amine | 2-[4-(9...) Show SMILES NCCc1ccc(cc1)-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C13H13N5/c14-6-5-9-1-3-10(4-2-9)11-12-13(17-7-15-11)18-8-16-12/h1-4,7-8H,5-6,14H2,(H,15,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16223 (1H-pyrrolo[2,3-b]pyridine | 7-azaindole | compound...) Show SMILES c1cc2cccnc2[nH]1 Show InChI InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.2	22
Astex					Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...				J Med Chem 50: 2289-92 (2007) Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C
					More data for this Ligand-Target Pair