Compile Data Set for Download or QSAR

Found 15 hits of kd for UniProtKB: P31749   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM50313650 (8-(4-(1-aminocyclobutyl)phenyl)-9-phenyl-[1,2,4]tr...) Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 Show InChI InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153703 (2-(4-((4-(5-Chloro-2-oxo-2,3-dihydro-1H-benzo[d]im...) Show SMILES Clc1ccc2n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c(=O)[nH]c2c1 Show InChI InChI=1S/C33H28ClN5O2/c34-24-10-11-30-29(18-24)37-33(41)39(30)25-13-16-38(17-14-25)20-21-6-8-23(9-7-21)31-26(22-4-2-1-3-5-22)19-27-28(36-31)12-15-35-32(27)40/h1-12,15,18-19,25H,13-14,16-17,20H2,(H,35,40)(H,37,41)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153702 (2-(4-((4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-...) Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C33H29N5O2/c39-32-27-20-26(23-6-2-1-3-7-23)31(35-28(27)14-17-34-32)24-12-10-22(11-13-24)21-37-18-15-25(16-19-37)38-30-9-5-4-8-29(30)36-33(38)40/h1-14,17,20,25H,15-16,18-19,21H2,(H,34,39)(H,36,40)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	410	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153705 (Methyl 1-(4-(5-oxo-3-phenyl-5,6-dihydro-1,6-naphth...) Show SMILES COC(=O)C1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C28H27N3O3/c1-34-28(33)22-12-15-31(16-13-22)18-19-7-9-21(10-8-19)26-23(20-5-3-2-4-6-20)17-24-25(30-26)11-14-29-27(24)32/h2-11,14,17,22H,12-13,15-16,18H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153707 (3-Phenyl-2-(4-((4-(pyrimidin-2-yl)piperazin-1-yl)m...) Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCN(CC4)c4ncccn4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C29H26N6O/c36-28-25-19-24(22-5-2-1-3-6-22)27(33-26(25)11-14-30-28)23-9-7-21(8-10-23)20-34-15-17-35(18-16-34)29-31-12-4-13-32-29/h1-14,19H,15-18,20H2,(H,30,36)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153709 (7-(4-methylphenyl)-5-phenyl-N-(thiophen-2-ylmethyl...) Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3cccs3)ncnc12 Show InChI InChI=1S/C24H20N4S/c1-17-9-11-19(12-10-17)28-15-21(18-6-3-2-4-7-18)22-23(26-16-27-24(22)28)25-14-20-8-5-13-29-20/h2-13,15-16H,14H2,1H3,(H,25,26,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153712 (5,7-diphenyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,...) Show SMILES C(Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1)c1cccs1 Show InChI InChI=1S/C23H18N4S/c1-3-8-17(9-4-1)20-15-27(18-10-5-2-6-11-18)23-21(20)22(25-16-26-23)24-14-19-12-7-13-28-19/h1-13,15-16H,14H2,(H,24,25,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153704 (2-(4-((3,4-Dihydroisoquinolin-2(1H)-yl)methyl)phen...) Show SMILES O=c1[nH]ccc2nc(-c3ccc(CN4CCc5ccccc5C4)cc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C30H25N3O/c34-30-27-18-26(23-7-2-1-3-8-23)29(32-28(27)14-16-31-30)24-12-10-21(11-13-24)19-33-17-15-22-6-4-5-9-25(22)20-33/h1-14,16,18H,15,17,19-20H2,(H,31,34)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153714 (N-benzyl-7-(4-methylphenyl)-5-phenyl-7H-pyrrolo[2,...) Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C26H22N4/c1-19-12-14-22(15-13-19)30-17-23(21-10-6-3-7-11-21)24-25(28-18-29-26(24)30)27-16-20-8-4-2-5-9-20/h2-15,17-18H,16H2,1H3,(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153706 (2-(4-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)ph...) Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI InChI=1S/C32H30N4O2/c1-38-27-13-11-26(12-14-27)36-19-17-35(18-20-36)22-23-7-9-25(10-8-23)31-28(24-5-3-2-4-6-24)21-29-30(34-31)15-16-33-32(29)37/h2-16,21H,17-20,22H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.20E+3	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153710 (7-(4-methylphenyl)-5-phenyl-N-(pyridin-3-ylmethyl)...) Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3cccnc3)ncnc12 Show InChI InChI=1S/C25H21N5/c1-18-9-11-21(12-10-18)30-16-22(20-7-3-2-4-8-20)23-24(28-17-29-25(23)30)27-15-19-6-5-13-26-14-19/h2-14,16-17H,15H2,1H3,(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153708 (3-Phenyl-2-(4-((4-(tetrahydrofuran-2-carbonyl)pipe...) Show SMILES O=C(C1CCCO1)N1CCN(Cc2ccc(cc2)-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)CC1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153711 (7-(4-fluorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)...) Show SMILES Fc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NCc3ccccn3)ncnc12 Show InChI InChI=1S/C24H18FN5/c25-18-9-11-20(12-10-18)30-15-21(17-6-2-1-3-7-17)22-23(28-16-29-24(22)30)27-14-19-8-4-5-13-26-19/h1-13,15-16H,14H2,(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153713 (7-(3-methylphenyl)-5-phenyl-N-(thiophen-2-ylmethyl...) Show SMILES Cc1cccc(c1)-n1cc(-c2ccccc2)c2c(NCc3cccs3)ncnc12 Show InChI InChI=1S/C24H20N4S/c1-17-7-5-10-19(13-17)28-15-21(18-8-3-2-4-9-18)22-23(26-16-27-24(22)28)25-14-20-11-6-12-29-20/h2-13,15-16H,14H2,1H3,(H,25,26,27)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.90E+4	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [E49C,C296S,C310S,C344S] (Homo sapiens (Human))	BDBM153715 (7-(3-chloro-4-methylphenyl)-5-phenyl-N-(thiophen-2...) Show SMILES Cc1ccc(cc1Cl)-n1cc(-c2ccccc2)c2c(NCc3cccs3)ncnc12 Show InChI InChI=1S/C24H19ClN4S/c1-16-9-10-18(12-21(16)25)29-14-20(17-6-3-2-4-7-17)22-23(27-15-28-24(22)29)26-13-19-8-5-11-30-19/h2-12,14-15H,13H2,1H3,(H,26,27,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.64E+5	n/a	n/a	n/a	7.4	n/a
Technische Universität Dortmund					Assay Description Labeled Akt1 was diluted to 200 nM in the measurement buffer consisting of 50 mMHEPES pH 7.4, 200 mM NaCl, and 0.01% Triton-X 100. Dilution series of...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
					More data for this Ligand-Target Pair