Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50044618   

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))	BDBM25013 (4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...) Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022549 (CHEMBL3299032) Show SMILES COC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCCCC(O)=O |r| Show InChI InChI=1S/C40H67N13O10/c1-23(2)32(36(60)50-28(21-24-13-15-25(54)16-14-24)34(58)51-29(22-63-4)33(57)46-17-7-12-31(55)56)52(3)38(62)27(10-6-19-48-40(44)45)49-35(59)30-11-8-20-53(30)37(61)26(41)9-5-18-47-39(42)43/h13-16,23,26-30,32,54H,5-12,17-22,41H2,1-4H3,(H,46,57)(H,49,59)(H,50,60)(H,51,58)(H,55,56)(H4,42,43,47)(H4,44,45,48)/t26-,27-,28-,29-,30-,32-/m0/s1	PDB UniProtKB/SwissProt 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
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 30 mins by scintillation counting analysis in presence of 100 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022551 (CHEMBL3298512) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C=C |r| Show InChI InChI=1S/C16H21NO3/c1-5-14(18)13(11-12-9-7-6-8-10-12)17-15(19)20-16(2,3)4/h5-10,13H,1,11H2,2-4H3,(H,17,19)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022559 (CHEMBL3298516) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1C(=O)C=CC1=O |r,c:25| Show InChI InChI=1S/C20H25N3O5/c1-20(2,3)28-19(27)22-15(13-14-7-5-4-6-8-14)18(26)21-11-12-23-16(24)9-10-17(23)25/h4-10,15H,11-13H2,1-3H3,(H,21,26)(H,22,27)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022564 (CHEMBL3298929) Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CN1C(=O)C=CC1=O |c:23| Show InChI InChI=1S/C18H21N3O5/c1-18(2,3)26-17(25)19-21(11-13-7-5-4-6-8-13)16(24)12-20-14(22)9-10-15(20)23/h4-10H,11-12H2,1-3H3,(H,19,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022562 (CHEMBL3298792) Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CI Show InChI InChI=1S/C14H19IN2O3/c1-14(2,3)20-13(19)16-17(12(18)9-15)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022561 (CHEMBL3298611) Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CBr Show InChI InChI=1S/C14H19BrN2O3/c1-14(2,3)20-13(19)16-17(12(18)9-15)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022565 (CHEMBL3298930) Show SMILES CCC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C16H23NO3/c1-5-14(18)13(11-12-9-7-6-8-10-12)17-15(19)20-16(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022563 (CHEMBL3298928) Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)C=C Show InChI InChI=1S/C15H20N2O3/c1-5-13(18)17(11-12-9-7-6-8-10-12)16-14(19)20-15(2,3)4/h5-10H,1,11H2,2-4H3,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022558 (CHEMBL3298515) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCl |r| Show InChI InChI=1S/C16H23ClN2O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022557 (CHEMBL3298514) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCBr |r| Show InChI InChI=1S/C16H23BrN2O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022552 (CHEMBL3298513) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCI |r| Show InChI InChI=1S/C16H23IN2O3/c1-16(2,3)22-15(21)19-13(14(20)18-10-9-17)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50022560 (CHEMBL3298610) Show SMILES CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CCl Show InChI InChI=1S/C14H19ClN2O3/c1-14(2,3)20-13(19)16-17(12(18)9-15)10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presence of 75 uM ATP				ACS Med Chem Lett 5: 462-7 (2014) Article DOI: 10.1021/ml500088x BindingDB Entry DOI: 10.7270/Q2VT1TNG
					More data for this Ligand-Target Pair