Compile Data Set for Download or QSAR

Found 196 hits with Last Name = 'kupchinsky' and Initial = 's'   

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
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361648 (CHEMBL1940246) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361649 (CHEMBL1938415) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-9-16(21-23(26)28-12-29-24(21)32)22(33)18-7-27-8-20(30-18)31-19-11-34-10-17(19)14-3-5-15(25)6-4-14/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361642 (CHEMBL1940251) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H25FN8O2/c1-14(2)34-11-17(21-24(27)29-12-30-25(21)34)23(36)19-9-28-10-20(32-19)31-18-7-8-33(13-35)22(18)15-3-5-16(26)6-4-15/h3-6,9-14,18,22H,7-8H2,1-2H3,(H,31,32)(H2,27,29,30)/t18-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361641 (CHEMBL1940247) Show SMILES CC(C)n1cc(C(=O)c2cncc(n2)N(C)[C@@H]2CCC[C@@H]2c2ccc(F)cc2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H28FN7O/c1-15(2)34-13-19(23-25(28)30-14-31-26(23)34)24(35)20-11-29-12-22(32-20)33(3)21-6-4-5-18(21)16-7-9-17(27)10-8-16/h7-15,18,21H,4-6H2,1-3H3,(H2,28,30,31)/t18-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317213 ((2R)-N-(adamantan-2-yl)-1-(cyclopentylmethyl)pyrro...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(25.66,-12.64,;24.31,-13.39,;24.29,-14.93,;22.94,-15.67,;22.93,-17.2,;21.53,-17.56,;20.2,-17.06,;19,-18.34,;20.5,-17.92,;21.92,-18.49,;20.5,-16.33,;21.54,-15.09,;20.18,-15.58,;22.8,-12.88,;21.59,-13.85,;20.36,-12.95,;20.82,-11.49,;22.35,-11.47,;23.25,-10.22,;22.62,-8.82,;23.38,-7.49,;22.34,-6.35,;20.94,-6.98,;21.1,-8.51,)| Show InChI InChI=1S/C21H34N2O/c24-21(19-6-3-7-23(19)13-14-4-1-2-5-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317224 ((2R)-N-(adamantan-2-yl)-1-(oxan-4-ylmethyl)pyrroli...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(16.19,2.36,;14.84,1.61,;14.82,.07,;13.47,-.68,;13.46,-2.21,;12.06,-2.57,;10.72,-2.07,;9.51,-3.36,;11.02,-2.93,;12.44,-3.5,;11.01,-1.34,;12.06,-.09,;10.7,-.58,;13.33,2.12,;12.11,1.14,;10.87,2.05,;11.33,3.52,;12.87,3.53,;13.64,4.87,;15.19,4.87,;15.96,3.52,;17.5,3.52,;18.28,4.86,;17.51,6.2,;15.96,6.21,)| Show InChI InChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317218 ((2R)-N-(adamantan-2-yl)-1-(3,3,3-trifluoropropyl)p...) Show SMILES FC(F)(F)CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(-5.42,-32.99,;-4.79,-34.4,;-3.25,-34.55,;-4.03,-33.05,;-5.69,-35.65,;-5.05,-37.05,;-5.95,-38.3,;-7.48,-38.31,;-7.95,-39.77,;-6.71,-40.68,;-5.5,-39.7,;-3.99,-40.21,;-2.65,-39.46,;-4.02,-41.75,;-5.36,-42.5,;-5.37,-44.03,;-6.77,-44.38,;-8.11,-43.89,;-9.31,-45.17,;-7.8,-44.74,;-6.39,-45.31,;-7.81,-43.16,;-6.76,-41.92,;-8.12,-42.4,)| Show InChI InChI=1S/C18H27F3N2O/c19-18(20,21)3-5-23-4-1-2-15(23)17(24)22-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10H2,(H,22,24)/t11?,12?,13?,14?,15-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317217 ((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...) Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:9.10,TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:12:13:17.18.20:22,13:14:17:20.21.22,13:21:17:15.19.14,(27.97,-20.63,;27.2,-21.96,;25.66,-21.96,;26.42,-20.62,;27.97,-23.29,;27.07,-24.54,;25.53,-24.56,;25.07,-26.02,;26.31,-26.92,;27.52,-25.95,;29.03,-26.46,;30.37,-25.71,;29,-28,;27.66,-28.74,;27.65,-30.27,;26.25,-30.63,;24.91,-30.13,;23.71,-31.41,;25.22,-30.99,;26.63,-31.56,;25.21,-29.4,;26.26,-28.16,;24.9,-28.65,)| Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317221 ((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(29.81,-42.16,;28.46,-42.91,;28.44,-44.45,;27.09,-45.2,;27.08,-46.73,;25.68,-47.08,;24.34,-46.59,;23.15,-47.87,;24.65,-47.44,;26.06,-48.01,;24.64,-45.86,;25.69,-44.62,;24.33,-45.1,;26.95,-42.4,;25.74,-43.38,;24.5,-42.47,;24.97,-41.02,;26.5,-41,;27.4,-39.75,;26.63,-38.41,;25.1,-38.41,;24.33,-37.08,;25.11,-35.74,;26.65,-35.75,;27.41,-37.09,;27.43,-34.42,;28.2,-33.09,)| Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317223 ((2R)-N-(adamantan-2-yl)-1-(pyridin-2-yl)pyrrolidin...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(6.04,2.3,;4.69,1.55,;4.66,.01,;3.32,-.73,;3.31,-2.26,;1.91,-2.62,;.57,-2.12,;-.63,-3.4,;.88,-2.98,;2.29,-3.54,;.87,-1.39,;1.92,-.15,;.56,-.63,;3.18,2.06,;1.97,1.09,;.73,1.99,;1.2,3.45,;2.72,3.47,;4.03,4.27,;4,5.82,;5.31,6.62,;6.67,5.87,;6.7,4.35,;5.39,3.54,)| Show InChI InChI=1S/C20H27N3O/c24-20(17-4-3-7-23(17)18-5-1-2-6-21-18)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-2,5-6,13-17,19H,3-4,7-12H2,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361652 (CHEMBL1940250) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-16(20-23(26)29-12-30-24(20)33)22(34)18-9-27-10-19(32-18)31-17-7-8-28-21(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,21,28H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t17-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317211 ((2R)-N-(adamantan-2-yl)-1-propylpyrrolidine-2-carb...) Show SMILES CCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(3.7,-6.03,;2.79,-7.28,;3.42,-8.69,;2.52,-9.94,;.99,-9.95,;.52,-11.41,;1.76,-12.31,;2.97,-11.34,;4.48,-11.85,;5.83,-11.1,;4.45,-13.39,;3.11,-14.13,;3.1,-15.67,;1.7,-16.02,;.36,-15.52,;-.84,-16.81,;.67,-16.38,;2.08,-16.95,;.66,-14.8,;1.71,-13.55,;.35,-14.04,)| Show InChI InChI=1S/C18H30N2O/c1-2-5-20-6-3-4-16(20)18(21)19-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361650 (CHEMBL1940248) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-11-16(20-23(26)28-12-29-24(20)32)21(33)18-9-27-10-19(31-18)30-17-7-8-34-22(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,22H,7-8H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361643 (CHEMBL1940252) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccc(F)cc3)C(C)=O)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H27FN8O2/c1-14(2)35-12-18(22-25(28)30-13-31-26(22)35)24(37)20-10-29-11-21(33-20)32-19-8-9-34(15(3)36)23(19)16-4-6-17(27)7-5-16/h4-7,10-14,19,23H,8-9H2,1-3H3,(H,32,33)(H2,28,30,31)/t19-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317211 ((2R)-N-(adamantan-2-yl)-1-propylpyrrolidine-2-carb...) Show SMILES CCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(3.7,-6.03,;2.79,-7.28,;3.42,-8.69,;2.52,-9.94,;.99,-9.95,;.52,-11.41,;1.76,-12.31,;2.97,-11.34,;4.48,-11.85,;5.83,-11.1,;4.45,-13.39,;3.11,-14.13,;3.1,-15.67,;1.7,-16.02,;.36,-15.52,;-.84,-16.81,;.67,-16.38,;2.08,-16.95,;.66,-14.8,;1.71,-13.55,;.35,-14.04,)| Show InChI InChI=1S/C18H30N2O/c1-2-5-20-6-3-4-16(20)18(21)19-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361644 (CHEMBL1940253) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN([C@@H]3c3ccccc3)C(C)=O)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C26H28N8O2/c1-15(2)34-13-18(22-25(27)29-14-30-26(22)34)24(36)20-11-28-12-21(32-20)31-19-9-10-33(16(3)35)23(19)17-7-5-4-6-8-17/h4-8,11-15,19,23H,9-10H2,1-3H3,(H,31,32)(H2,27,29,30)/t19-,23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged PDK1 catalytic domain using Ac-Sox-PKTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIAD-NH2 as substrate by fluorescence...				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317209 ((2R)-N-(adamantan-2-yl)-1-ethylpyrrolidine-2-carbo...) Show SMILES CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:6.7,TLB:16:15:19:12.11.10,16:11:14.15.17:19,THB:9:10:14.15.17:19,10:11:14:17.18.19,10:18:14:12.16.11,(-6.05,6.18,;-5.42,4.76,;-6.33,3.51,;-7.87,3.49,;-8.34,2.03,;-7.09,1.12,;-5.88,2.1,;-4.36,1.59,;-3,2.34,;-4.38,.05,;-5.73,-.7,;-5.74,-2.24,;-7.15,-2.6,;-8.49,-2.1,;-9.69,-3.39,;-8.18,-2.96,;-6.76,-3.53,;-8.19,-1.37,;-7.14,-.12,;-8.5,-.6,)| Show InChI InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11?,12?,13?,14?,15-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317212 ((2R)-N-(adamantan-2-yl)-1-(propan-2-yl)pyrrolidine...) Show SMILES CC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(12.99,-6.92,;13.62,-8.33,;15.15,-8.49,;12.71,-9.58,;11.18,-9.59,;10.72,-11.05,;11.95,-11.95,;13.17,-10.98,;14.67,-11.49,;16.02,-10.74,;14.65,-13.03,;13.3,-13.78,;13.3,-15.31,;11.9,-15.66,;10.56,-15.17,;9.36,-16.45,;10.87,-16.02,;12.28,-16.59,;10.86,-14.44,;11.9,-13.19,;10.55,-13.68,)| Show InChI InChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361653 (CHEMBL1940245) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccccc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H27N7O/c1-15(2)32-13-18(22-24(26)28-14-29-25(22)32)23(33)20-11-27-12-21(31-20)30-19-10-6-9-17(19)16-7-4-3-5-8-16/h3-5,7-8,11-15,17,19H,6,9-10H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317219 ((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...) Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(2.87,-33.68,;3.64,-35.01,;5.18,-35.02,;5.94,-36.36,;5.16,-37.69,;5.93,-39.03,;5.02,-40.28,;3.49,-40.29,;3.03,-41.75,;4.27,-42.66,;5.48,-41.68,;6.99,-42.19,;8.34,-41.44,;6.96,-43.73,;5.62,-44.48,;5.61,-46.01,;4.21,-46.36,;2.87,-45.87,;1.67,-47.15,;3.18,-46.72,;4.59,-47.29,;3.17,-45.14,;4.22,-43.9,;2.86,-44.38,;3.63,-37.69,;2.86,-36.35,)| Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317210 ((2R)-N-(adamantan-2-yl)-1-methylpyrrolidine-2-carb...) Show SMILES CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:5.6,TLB:15:14:18:11.10.9,15:10:13.14.16:18,THB:8:9:13.14.16:18,9:10:13:16.17.18,9:17:13:11.15.10,(-4.95,-6.94,;-5.86,-8.19,;-7.4,-8.21,;-7.87,-9.67,;-6.63,-10.58,;-5.41,-9.6,;-3.89,-10.12,;-2.54,-9.36,;-3.91,-11.66,;-5.26,-12.4,;-5.27,-13.94,;-6.68,-14.3,;-8.02,-13.8,;-9.23,-15.09,;-7.71,-14.66,;-6.29,-15.23,;-7.72,-13.07,;-6.67,-11.82,;-8.03,-12.3,)| Show InChI InChI=1S/C16H26N2O/c1-18-4-2-3-14(18)16(19)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,2-9H2,1H3,(H,17,19)/t10?,11?,12?,13?,14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317216 ((2R)-N-(adamantan-2-yl)-1-(cyclohexylmethyl)pyrrol...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(18.88,-25.64,;17.53,-26.39,;17.51,-27.93,;16.16,-28.68,;16.15,-30.21,;14.75,-30.56,;13.41,-30.07,;12.22,-31.35,;13.72,-30.92,;15.13,-31.49,;13.71,-29.34,;14.76,-28.1,;13.4,-28.58,;16.02,-25.88,;14.81,-26.86,;13.57,-25.95,;14.04,-24.49,;15.57,-24.48,;16.47,-23.23,;15.7,-21.89,;16.48,-20.57,;15.71,-19.24,;14.17,-19.23,;13.4,-20.56,;14.17,-21.9,)| Show InChI InChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361651 (CHEMBL1940249) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-17(21-23(26)29-12-30-24(21)33)22(34)19-9-28-10-20(32-19)31-18-8-27-7-16(18)14-3-5-15(25)6-4-14/h3-6,9-13,16,18,27H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317208 (CHEMBL1088115 | N-(adamantan-2-yl)-2-[cyclohexyl(e...) Show SMILES CCN(CC(=O)NC1C2CC3CC(C2)CC1C3)C1CCCCC1 |TLB:13:12:16:9.8.7,13:8:11.12.14:16,THB:6:7:11.12.14:16,7:8:11:14.15.16,7:15:11:9.13.8,(27.37,5.32,;27.37,3.78,;28.7,3,;28.71,1.46,;30.04,.69,;31.38,1.46,;30.04,-.85,;28.7,-1.62,;28.7,-3.14,;27.29,-3.49,;25.97,-3.01,;24.77,-4.28,;26.26,-3.86,;27.67,-4.42,;26.25,-2.27,;27.3,-1.05,;25.96,-1.52,;30.04,3.78,;31.38,3.01,;32.71,3.78,;32.71,5.31,;31.38,6.08,;30.04,5.31,)| Show InChI InChI=1S/C20H34N2O/c1-2-22(18-6-4-3-5-7-18)13-19(23)21-20-16-9-14-8-15(11-16)12-17(20)10-14/h14-18,20H,2-13H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317216 ((2R)-N-(adamantan-2-yl)-1-(cyclohexylmethyl)pyrrol...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCCCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(18.88,-25.64,;17.53,-26.39,;17.51,-27.93,;16.16,-28.68,;16.15,-30.21,;14.75,-30.56,;13.41,-30.07,;12.22,-31.35,;13.72,-30.92,;15.13,-31.49,;13.71,-29.34,;14.76,-28.1,;13.4,-28.58,;16.02,-25.88,;14.81,-26.86,;13.57,-25.95,;14.04,-24.49,;15.57,-24.48,;16.47,-23.23,;15.7,-21.89,;16.48,-20.57,;15.71,-19.24,;14.17,-19.23,;13.4,-20.56,;14.17,-21.9,)| Show InChI InChI=1S/C22H36N2O/c25-22(20-7-4-8-24(20)14-15-5-2-1-3-6-15)23-21-18-10-16-9-17(12-18)13-19(21)11-16/h15-21H,1-14H2,(H,23,25)/t16?,17?,18?,19?,20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317218 ((2R)-N-(adamantan-2-yl)-1-(3,3,3-trifluoropropyl)p...) Show SMILES FC(F)(F)CCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(-5.42,-32.99,;-4.79,-34.4,;-3.25,-34.55,;-4.03,-33.05,;-5.69,-35.65,;-5.05,-37.05,;-5.95,-38.3,;-7.48,-38.31,;-7.95,-39.77,;-6.71,-40.68,;-5.5,-39.7,;-3.99,-40.21,;-2.65,-39.46,;-4.02,-41.75,;-5.36,-42.5,;-5.37,-44.03,;-6.77,-44.38,;-8.11,-43.89,;-9.31,-45.17,;-7.8,-44.74,;-6.39,-45.31,;-7.81,-43.16,;-6.76,-41.92,;-8.12,-42.4,)| Show InChI InChI=1S/C18H27F3N2O/c19-18(20,21)3-5-23-4-1-2-15(23)17(24)22-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10H2,(H,22,24)/t11?,12?,13?,14?,15-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317222 ((2R)-N-(adamantan-2-yl)-1-(2-hydroxyethyl)pyrrolid...) Show SMILES OCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(-3.11,5.86,;-3.88,4.52,;-5.43,4.52,;-6.21,3.18,;-7.75,3.17,;-8.21,1.7,;-6.97,.79,;-5.75,1.77,;-4.23,1.26,;-2.88,2.01,;-4.26,-.28,;-5.6,-1.03,;-5.61,-2.57,;-7.02,-2.92,;-8.36,-2.43,;-9.57,-3.71,;-8.06,-3.29,;-6.63,-3.86,;-8.06,-1.69,;-7.01,-.44,;-8.38,-.93,)| Show InChI InChI=1S/C17H28N2O2/c20-5-4-19-3-1-2-15(19)17(21)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16,20H,1-10H2,(H,18,21)/t11?,12?,13?,14?,15-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317210 ((2R)-N-(adamantan-2-yl)-1-methylpyrrolidine-2-carb...) Show SMILES CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:5.6,TLB:15:14:18:11.10.9,15:10:13.14.16:18,THB:8:9:13.14.16:18,9:10:13:16.17.18,9:17:13:11.15.10,(-4.95,-6.94,;-5.86,-8.19,;-7.4,-8.21,;-7.87,-9.67,;-6.63,-10.58,;-5.41,-9.6,;-3.89,-10.12,;-2.54,-9.36,;-3.91,-11.66,;-5.26,-12.4,;-5.27,-13.94,;-6.68,-14.3,;-8.02,-13.8,;-9.23,-15.09,;-7.71,-14.66,;-6.29,-15.23,;-7.72,-13.07,;-6.67,-11.82,;-8.03,-12.3,)| Show InChI InChI=1S/C16H26N2O/c1-18-4-2-3-14(18)16(19)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-15H,2-9H2,1H3,(H,17,19)/t10?,11?,12?,13?,14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317219 ((2R)-N-(adamantan-2-yl)-1-[(4-chlorophenyl)methyl]...) Show SMILES Clc1ccc(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cc1 |r,wU:10.11,TLB:20:19:23:16.15.14,20:15:18.19.21:23,THB:13:14:18.19.21:23,14:15:18:21.22.23,14:22:18:16.20.15,(2.87,-33.68,;3.64,-35.01,;5.18,-35.02,;5.94,-36.36,;5.16,-37.69,;5.93,-39.03,;5.02,-40.28,;3.49,-40.29,;3.03,-41.75,;4.27,-42.66,;5.48,-41.68,;6.99,-42.19,;8.34,-41.44,;6.96,-43.73,;5.62,-44.48,;5.61,-46.01,;4.21,-46.36,;2.87,-45.87,;1.67,-47.15,;3.18,-46.72,;4.59,-47.29,;3.17,-45.14,;4.22,-43.9,;2.86,-44.38,;3.63,-37.69,;2.86,-36.35,)| Show InChI InChI=1S/C22H29ClN2O/c23-19-5-3-14(4-6-19)13-25-7-1-2-20(25)22(26)24-21-17-9-15-8-16(11-17)12-18(21)10-15/h3-6,15-18,20-21H,1-2,7-13H2,(H,24,26)/t15?,16?,17?,18?,20-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317212 ((2R)-N-(adamantan-2-yl)-1-(propan-2-yl)pyrrolidine...) Show SMILES CC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(12.99,-6.92,;13.62,-8.33,;15.15,-8.49,;12.71,-9.58,;11.18,-9.59,;10.72,-11.05,;11.95,-11.95,;13.17,-10.98,;14.67,-11.49,;16.02,-10.74,;14.65,-13.03,;13.3,-13.78,;13.3,-15.31,;11.9,-15.66,;10.56,-15.17,;9.36,-16.45,;10.87,-16.02,;12.28,-16.59,;10.86,-14.44,;11.9,-13.19,;10.55,-13.68,)| Show InChI InChI=1S/C18H30N2O/c1-11(2)20-5-3-4-16(20)18(21)19-17-14-7-12-6-13(9-14)10-15(17)8-12/h11-17H,3-10H2,1-2H3,(H,19,21)/t12?,13?,14?,15?,16-,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50361651 (CHEMBL1940249) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CNC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-17(21-23(26)29-12-30-24(21)33)22(34)19-9-28-10-20(32-19)31-18-8-27-7-16(18)14-3-5-15(25)6-4-14/h3-6,9-13,16,18,27H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t16-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317207 (CHEMBL1088517 | N-cyclohexyl-2-(7,8-dihydro-4H-iso...) Show SMILES CCN(C1CCCCC1)C(=O)CN1CCc2conc2CC1 Show InChI InChI=1S/C17H27N3O2/c1-2-20(15-6-4-3-5-7-15)17(21)12-19-10-8-14-13-22-18-16(14)9-11-19/h13,15H,2-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317224 ((2R)-N-(adamantan-2-yl)-1-(oxan-4-ylmethyl)pyrroli...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CC1CCOCC1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(16.19,2.36,;14.84,1.61,;14.82,.07,;13.47,-.68,;13.46,-2.21,;12.06,-2.57,;10.72,-2.07,;9.51,-3.36,;11.02,-2.93,;12.44,-3.5,;11.01,-1.34,;12.06,-.09,;10.7,-.58,;13.33,2.12,;12.11,1.14,;10.87,2.05,;11.33,3.52,;12.87,3.53,;13.64,4.87,;15.19,4.87,;15.96,3.52,;17.5,3.52,;18.28,4.86,;17.51,6.2,;15.96,6.21,)| Show InChI InChI=1S/C21H34N2O2/c24-21(19-2-1-5-23(19)13-14-3-6-25-7-4-14)22-20-17-9-15-8-16(11-17)12-18(20)10-15/h14-20H,1-13H2,(H,22,24)/t15?,16?,17?,18?,19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317225 ((2R)-N-(adamantan-2-yl)-1-[(1-hydroxycyclopentyl)m...) Show SMILES OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCC1 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:10:11:15.16.18:20,11:12:15:18.19.20,11:19:15:13.17.12,(25.94,3.33,;26.11,4.86,;24.57,4.88,;23.67,3.63,;22.13,3.6,;21.67,2.14,;22.91,1.24,;24.13,2.22,;25.64,1.7,;26.99,2.46,;25.61,.16,;24.26,-.58,;24.25,-2.12,;22.86,-2.47,;21.51,-1.98,;20.31,-3.26,;21.82,-2.83,;23.24,-3.4,;21.81,-1.25,;22.86,-0,;21.5,-.49,;25.97,6.39,;27.38,7.01,;28.41,5.86,;27.63,4.53,)| Show InChI InChI=1S/C21H34N2O2/c24-20(18-4-3-7-23(18)13-21(25)5-1-2-6-21)22-19-16-9-14-8-15(11-16)12-17(19)10-14/h14-19,25H,1-13H2,(H,22,24)/t14?,15?,16?,17?,18-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361647 (CHEMBL1940244) Show SMILES CC(C)n1cc(C(=O)c2cncc(NCCc3cccnc3)n2)c2c(N)ncnc12 Show InChI InChI=1S/C21H22N8O/c1-13(2)29-11-15(18-20(22)26-12-27-21(18)29)19(30)16-9-24-10-17(28-16)25-7-5-14-4-3-6-23-8-14/h3-4,6,8-13H,5,7H2,1-2H3,(H,25,28)(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317217 ((2R)-N-(adamantan-2-yl)-1-(2,2,2-trifluoroethyl)py...) Show SMILES FC(F)(F)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 |r,wU:9.10,TLB:19:18:22:15.14.13,19:14:17.18.20:22,THB:12:13:17.18.20:22,13:14:17:20.21.22,13:21:17:15.19.14,(27.97,-20.63,;27.2,-21.96,;25.66,-21.96,;26.42,-20.62,;27.97,-23.29,;27.07,-24.54,;25.53,-24.56,;25.07,-26.02,;26.31,-26.92,;27.52,-25.95,;29.03,-26.46,;30.37,-25.71,;29,-28,;27.66,-28.74,;27.65,-30.27,;26.25,-30.63,;24.91,-30.13,;23.71,-31.41,;25.22,-30.99,;26.63,-31.56,;25.21,-29.4,;26.26,-28.16,;24.9,-28.65,)| Show InChI InChI=1S/C17H25F3N2O/c18-17(19,20)9-22-3-1-2-14(22)16(23)21-15-12-5-10-4-11(7-12)8-13(15)6-10/h10-15H,1-9H2,(H,21,23)/t10?,11?,12?,13?,14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	35.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317223 ((2R)-N-(adamantan-2-yl)-1-(pyridin-2-yl)pyrrolidin...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1 |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(6.04,2.3,;4.69,1.55,;4.66,.01,;3.32,-.73,;3.31,-2.26,;1.91,-2.62,;.57,-2.12,;-.63,-3.4,;.88,-2.98,;2.29,-3.54,;.87,-1.39,;1.92,-.15,;.56,-.63,;3.18,2.06,;1.97,1.09,;.73,1.99,;1.2,3.45,;2.72,3.47,;4.03,4.27,;4,5.82,;5.31,6.62,;6.67,5.87,;6.7,4.35,;5.39,3.54,)| Show InChI InChI=1S/C20H27N3O/c24-20(17-4-3-7-23(17)18-5-1-2-6-21-18)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-2,5-6,13-17,19H,3-4,7-12H2,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317226 ((2R)-N-(adamantan-2-yl)-1-[(1-hydroxycyclohexyl)me...) Show SMILES OC1(CN2CCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)CCCCC1 |r,wU:7.8,TLB:17:16:20:13.12.11,17:12:15.16.18:20,THB:11:12:15:18.19.20,11:19:15:13.17.12,10:11:15.16.18:20,(-3.5,-9.88,;-3.33,-8.35,;-4.87,-8.34,;-5.77,-9.59,;-7.3,-9.61,;-7.77,-11.07,;-6.53,-11.97,;-5.31,-10.99,;-3.8,-11.51,;-2.45,-10.75,;-3.83,-13.05,;-5.18,-13.79,;-5.19,-15.33,;-6.59,-15.69,;-7.93,-15.19,;-9.13,-16.47,;-7.62,-16.05,;-6.2,-16.61,;-7.63,-14.46,;-6.58,-13.21,;-7.94,-13.7,;-2.01,-9.12,;-.66,-8.36,;-.66,-6.82,;-1.99,-6.04,;-3.32,-6.81,)| Show InChI InChI=1S/C22H36N2O2/c25-21(23-20-17-10-15-9-16(12-17)13-18(20)11-15)19-5-4-8-24(19)14-22(26)6-2-1-3-7-22/h15-20,26H,1-14H2,(H,23,25)/t15?,16?,17?,18?,19-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361646 (CHEMBL1940243) Show SMILES CNc1cncc(n1)C(=O)c1cn(C(C)C)c2ncnc(N)c12 Show InChI InChI=1S/C15H17N7O/c1-8(2)22-6-9(12-14(16)19-7-20-15(12)22)13(23)10-4-18-5-11(17-3)21-10/h4-8H,1-3H3,(H,17,21)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50361652 (CHEMBL1940250) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-16(20-23(26)29-12-30-24(20)33)22(34)18-9-27-10-19(32-18)31-17-7-8-28-21(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,21,28H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50361642 (CHEMBL1940251) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H25FN8O2/c1-14(2)34-11-17(21-24(27)29-12-30-25(21)34)23(36)19-9-28-10-20(32-19)31-18-7-8-33(13-35)22(18)15-3-5-16(26)6-4-15/h3-6,9-14,18,22H,7-8H2,1-2H3,(H,31,32)(H2,27,29,30)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha after 30 mins by fluorescence polarization assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50361653 (CHEMBL1940245) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccccc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H27N7O/c1-15(2)32-13-18(22-24(26)28-14-29-25(22)32)23(33)20-11-27-12-21(31-20)30-19-10-6-9-17(19)16-7-4-3-5-8-16/h3-5,7-8,11-15,17,19H,6,9-10H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha after 30 mins by fluorescence polarization assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50361652 (CHEMBL1940250) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H25FN8O/c1-13(2)33-11-16(20-23(26)29-12-30-24(20)33)22(34)18-9-27-10-19(32-18)31-17-7-8-28-21(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,21,28H,7-8H2,1-2H3,(H,31,32)(H2,26,29,30)/t17-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha after 30 mins by fluorescence polarization assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50361642 (CHEMBL1940251) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H25FN8O2/c1-14(2)34-11-17(21-24(27)29-12-30-25(21)34)23(36)19-9-28-10-20(32-19)31-18-7-8-33(13-35)22(18)15-3-5-16(26)6-4-15/h3-6,9-14,18,22H,7-8H2,1-2H3,(H,31,32)(H2,27,29,30)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50317221 ((2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]p...) Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1Cc1cccc(c1)C#N |r,wU:13.15,TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(29.81,-42.16,;28.46,-42.91,;28.44,-44.45,;27.09,-45.2,;27.08,-46.73,;25.68,-47.08,;24.34,-46.59,;23.15,-47.87,;24.65,-47.44,;26.06,-48.01,;24.64,-45.86,;25.69,-44.62,;24.33,-45.1,;26.95,-42.4,;25.74,-43.38,;24.5,-42.47,;24.97,-41.02,;26.5,-41,;27.4,-39.75,;26.63,-38.41,;25.1,-38.41,;24.33,-37.08,;25.11,-35.74,;26.65,-35.75,;27.41,-37.09,;27.43,-34.42,;28.2,-33.09,)| Show InChI InChI=1S/C23H29N3O/c24-13-15-3-1-4-16(7-15)14-26-6-2-5-21(26)23(27)25-22-19-9-17-8-18(11-19)12-20(22)10-17/h1,3-4,7,17-22H,2,5-6,8-12,14H2,(H,25,27)/t17?,18?,19?,20?,21-,22?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of mouse 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50317206 ((3-Phenyl-adamantan-1-yl)-piperidin-1-yl-methanone...) Show SMILES O=C(N1CCCCC1)C12CC3CC(C1)CC(C3)(C2)c1ccccc1 |TLB:13:8:16:14.12.11,1:8:16:14.12.11,1:8:16.15.14:11,THB:18:15:11:9.8.13,17:15:11:9.8.13,17:8:16.15.14:11,13:12:16:9.17.8| Show InChI InChI=1S/C22H29NO/c24-20(23-9-5-2-6-10-23)22-14-17-11-18(15-22)13-21(12-17,16-22)19-7-3-1-4-8-19/h1,3-4,7-8,17-18H,2,5-6,9-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	175	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research& Development Curated by ChEMBL					Assay Description Inhibition of human 11-beta-HSD1				Bioorg Med Chem Lett 20: 2897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.03.032 BindingDB Entry DOI: 10.7270/Q2NV9JDJ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50361648 (CHEMBL1940246) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C25H26FN7O/c1-14(2)33-12-18(22-24(27)29-13-30-25(22)33)23(34)20-10-28-11-21(32-20)31-19-5-3-4-17(19)15-6-8-16(26)9-7-15/h6-14,17,19H,3-5H2,1-2H3,(H,31,32)(H2,27,29,30)/t17-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50361650 (CHEMBL1940248) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCO[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-11-16(20-23(26)28-12-29-24(20)32)21(33)18-9-27-10-19(31-18)30-17-7-8-34-22(17)14-3-5-15(25)6-4-14/h3-6,9-13,17,22H,7-8H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50361647 (CHEMBL1940244) Show SMILES CC(C)n1cc(C(=O)c2cncc(NCCc3cccnc3)n2)c2c(N)ncnc12 Show InChI InChI=1S/C21H22N8O/c1-13(2)29-11-15(18-20(22)26-12-27-21(18)29)19(30)16-9-24-10-17(28-16)25-7-5-14-4-3-6-23-8-14/h3-4,6,8-13H,5,7H2,1-2H3,(H,25,28)(H2,22,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha after 30 mins by fluorescence polarization assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50361649 (CHEMBL1938415) Show SMILES CC(C)n1cc(C(=O)c2cncc(N[C@@H]3COC[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc12 |r| Show InChI InChI=1S/C24H24FN7O2/c1-13(2)32-9-16(21-23(26)28-12-29-24(21)32)22(33)18-7-27-8-20(30-18)31-19-11-34-10-17(19)14-3-5-15(25)6-4-14/h3-9,12-13,17,19H,10-11H2,1-2H3,(H,30,31)(H2,26,28,29)/t17-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of His-tagged AKT1 using 5FAM-GRPRTSSFAEGCONH2 as substrate by fluorescence based assay				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair

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