Compile Data Set for Download or QSAR

Found 493 hits Enz. Inhib. hit(s) with all data for entry = 1511   

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
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328257 (6-(4-(4-acetylphenoxy) piperidine-1-carbonyl)- N-...) Show SMILES CC(=O)c1ccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 Show InChI InChI=1S/C31H27FN4O5/c1-20(37)21-2-8-25(9-3-21)40-27-14-16-36(17-15-27)31(39)28-12-4-22(18-33-28)30(38)35-24-7-13-29(34-19-24)41-26-10-5-23(32)6-11-26/h2-13,18-19,27H,14-17H2,1H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328258 (N-(1-(4- fluorobenzyl)piperidin- 4-yl)-6-(4-(4- (m...) Show SMILES CS(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C31H35FN4O5S/c1-42(39,40)28-9-7-26(8-10-28)41-27-14-18-36(19-15-27)31(38)29-11-4-23(20-33-29)30(37)34-25-12-16-35(17-13-25)21-22-2-5-24(32)6-3-22/h2-11,20,25,27H,12-19,21H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328259 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-6-(4-(4- (me...) Show SMILES CS(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C32H35N5O5S/c1-43(40,41)29-9-7-27(8-10-29)42-28-14-18-37(19-15-28)32(39)30-11-6-25(21-34-30)31(38)35-26-12-16-36(17-13-26)22-24-4-2-23(20-33)3-5-24/h2-11,21,26,28H,12-19,22H2,1H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328260 (N-(4-(4-cyanophenoxy) cyclohexyl)-6-(4-(4- (methy...) Show SMILES CS(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCC(CC2)Oc2ccc(cc2)C#N)cc1 |(-14.82,.62,;-14.05,1.95,;-15.39,2.72,;-13.28,3.29,;-12.72,1.18,;-11.34,1.93,;-10,1.15,;-10,-.38,;-8.67,-1.15,;-7.34,-.38,;-6,-1.15,;-4.67,-.38,;-4.67,1.15,;-6,1.93,;-7.34,1.15,;-3.33,1.93,;-3.33,3.47,;-2,1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;.67,1.15,;-.67,1.93,;2,-1.15,;2,-2.69,;3.33,-.38,;4.67,-1.15,;4.67,-2.69,;6,-3.47,;7.34,-2.69,;7.34,-1.15,;6,-.38,;8.67,-3.47,;10,-2.69,;11.34,-3.47,;12.67,-2.69,;12.72,-1.13,;11.34,-.39,;10,-1.15,;14.05,-.36,;15.38,.41,;-11.34,-1.15,;-12.67,-.38,)| Show InChI InChI=1S/C32H34N4O6S/c1-43(39,40)29-13-11-27(12-14-29)42-28-16-18-36(19-17-28)32(38)30-15-4-23(21-34-30)31(37)35-24-5-9-26(10-6-24)41-25-7-2-22(20-33)3-8-25/h2-4,7-8,11-15,21,24,26,28H,5-6,9-10,16-19H2,1H3,(H,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328261 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-6-(4-(4- (me...) Show SMILES CS(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)c2ccc(nn2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C31H34N6O5S/c1-43(40,41)27-8-6-25(7-9-27)42-26-14-18-37(19-15-26)31(39)29-11-10-28(34-35-29)30(38)33-24-12-16-36(17-13-24)21-23-4-2-22(20-32)3-5-23/h2-11,24,26H,12-19,21H2,1H3,(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328262 (N-(1-(4- aminobenzyl)piperidin- 4-yl)-6-(4-(4- met...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2ccc(N)cc2)CC1 Show InChI InChI=1S/C32H37N5O4/c1-41-28-9-4-23(5-10-28)30(38)24-12-18-37(19-13-24)32(40)29-11-6-25(20-34-29)31(39)35-27-14-16-36(17-15-27)21-22-2-7-26(33)8-3-22/h2-11,20,24,27H,12-19,21,33H2,1H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328263 (N-(1-(4- acetamidobenzyl) piperidin-4-yl)-6-(4-(4...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 Show InChI InChI=1S/C34H39N5O5/c1-23(40)36-28-8-3-24(4-9-28)22-38-17-15-29(16-18-38)37-33(42)27-7-12-31(35-21-27)34(43)39-19-13-26(14-20-39)32(41)25-5-10-30(44-2)11-6-25/h3-12,21,26,29H,13-20,22H2,1-2H3,(H,36,40)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328264 (6-(4-(4-acetylphenoxy) piperidine-1-carbonyl)- N-...) Show SMILES CC(=O)c1ccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)Nc2ccc(Oc3ccc(cc3)C#N)nc2)cc1 Show InChI InChI=1S/C32H27N5O5/c1-21(38)23-4-10-26(11-5-23)41-28-14-16-37(17-15-28)32(40)29-12-6-24(19-34-29)31(39)36-25-7-13-30(35-20-25)42-27-8-2-22(18-33)3-9-27/h2-13,19-20,28H,14-17H2,1H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328265 (5-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)- N...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(nc1)C(=O)NC1CCN(Cc2ccc(NC(=O)CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)CC1 |r| Show InChI InChI=1S/C51H68N8O10S/c1-66-41-13-8-36(9-14-41)48(62)37-16-24-59(25-17-37)50(64)38-10-15-42(53-32-38)49(63)55-40-18-22-58(23-19-40)33-35-6-11-39(12-7-35)54-46(61)20-26-67-28-30-69-31-29-68-27-21-52-45(60)5-3-2-4-44-47-43(34-70-44)56-51(65)57-47/h6-15,32,37,40,43-44,47H,2-5,16-31,33-34H2,1H3,(H,52,60)(H,54,61)(H,55,63)(H2,56,57,65)/t43-,44-,47-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328267 (6-(4-(4- fluorobenzyl)piperazine- 1-carbonyl)-N-(1...) Show SMILES COc1ccc(cc1)N1CCC(CC1)NC(=O)c1ccc(nc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C30H34FN5O3/c1-39-27-9-7-26(8-10-27)35-14-12-25(13-15-35)33-29(37)23-4-11-28(32-20-23)30(38)36-18-16-34(17-19-36)21-22-2-5-24(31)6-3-22/h2-11,20,25H,12-19,21H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328268 (6-(4-(4- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES CC(=O)Nc1ccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C32H36FN5O4/c1-22(39)35-26-7-9-28(10-8-26)42-29-14-18-38(19-15-29)32(41)30-11-4-24(20-34-30)31(40)36-27-12-16-37(17-13-27)21-23-2-5-25(33)6-3-23/h2-11,20,27,29H,12-19,21H2,1H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328269 (6-(4-(4- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)Oc2ccc(NC(C)=O)cc2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-23(39)35-26-6-10-29(11-7-26)43-30-15-19-38(20-16-30)33(41)31-12-5-25(21-34-31)32(40)36-27-13-17-37(18-14-27)22-24-3-8-28(42-2)9-4-24/h3-12,21,27,30H,13-20,22H2,1-2H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328270 (5-(4-(4- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES CC(=O)Nc1ccc(OC2CCN(CC2)C(=O)c2ccc(nc2)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 Show InChI InChI=1S/C31H28FN5O5/c1-20(38)35-23-5-10-25(11-6-23)41-27-14-16-37(17-15-27)31(40)21-2-12-28(33-18-21)30(39)36-24-7-13-29(34-19-24)42-26-8-3-22(32)4-9-26/h2-13,18-19,27H,14-17H2,1H3,(H,35,38)(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328271 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-6-(4-(4- (cy...) Show SMILES O=C(Nc1ccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1)C1CC1 Show InChI InChI=1S/C35H38N6O4/c36-21-24-1-3-25(4-2-24)23-40-17-13-29(14-18-40)39-34(43)27-7-12-32(37-22-27)35(44)41-19-15-31(16-20-41)45-30-10-8-28(9-11-30)38-33(42)26-5-6-26/h1-4,7-12,22,26,29,31H,5-6,13-20,23H2,(H,38,42)(H,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328272 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(4- (tr...) Show SMILES FC(F)(F)Sc1ccc(OC2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C32H32F3N5O3S/c33-32(34,35)44-28-8-6-26(7-9-28)43-27-13-17-40(18-14-27)31(42)24-5-10-29(37-20-24)30(41)38-25-11-15-39(16-12-25)21-23-3-1-22(19-36)2-4-23/h1-10,20,25,27H,11-18,21H2,(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328273 (6-(4-(3- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES CC(=O)Nc1cccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)c1 Show InChI InChI=1S/C33H36N6O4/c1-23(40)36-28-3-2-4-30(19-28)43-29-13-17-39(18-14-29)33(42)31-10-9-26(21-35-31)32(41)37-27-11-15-38(16-12-27)22-25-7-5-24(20-34)6-8-25/h2-10,19,21,27,29H,11-18,22H2,1H3,(H,36,40)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328274 (6-(4-(3- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)Oc2cccc(NC(C)=O)c2)cc1 Show InChI InChI=1S/C33H39N5O5/c1-23(39)35-27-4-3-5-30(20-27)43-29-14-18-38(19-15-29)33(41)31-11-8-25(21-34-31)32(40)36-26-12-16-37(17-13-26)22-24-6-9-28(42-2)10-7-24/h3-11,20-21,26,29H,12-19,22H2,1-2H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328275 (6-(4-(3- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES CC(=O)Nc1cccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1 Show InChI InChI=1S/C32H36FN5O4/c1-22(39)35-27-3-2-4-29(19-27)42-28-13-17-38(18-14-28)32(41)30-10-7-24(20-34-30)31(40)36-26-11-15-37(16-12-26)21-23-5-8-25(33)9-6-23/h2-10,19-20,26,28H,11-18,21H2,1H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328276 (6-(4-(3- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES CC(=O)Nc1cccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 Show InChI InChI=1S/C31H28FN5O5/c1-20(38)35-23-3-2-4-27(17-23)41-26-13-15-37(16-14-26)31(40)28-11-5-21(18-33-28)30(39)36-24-8-12-29(34-19-24)42-25-9-6-22(32)7-10-25/h2-12,17-19,26H,13-16H2,1H3,(H,35,38)(H,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328277 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(4- (tr...) Show SMILES FC(F)(F)S(=O)(=O)c1ccc(OC2CCN(CC2)C(=O)c2ccc(nc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C32H32F3N5O5S/c33-32(34,35)46(43,44)28-8-6-26(7-9-28)45-27-13-17-40(18-14-27)31(42)24-5-10-29(37-20-24)30(41)38-25-11-15-39(16-12-25)21-23-3-1-22(19-36)2-4-23/h1-10,20,25,27H,11-18,21H2,(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328278 (US10377742, Compound 416 | US9663496, Compound 416...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ncc(cc1CCCNC(=O)OC(C)(C)C)C(=O)NC1CCN(Cc2ccc(cc2)C#N)CC1 Show InChI InChI=1S/C41H50N6O6/c1-41(2,3)53-40(51)43-19-5-6-32-24-33(38(49)45-34-17-20-46(21-18-34)27-29-9-7-28(25-42)8-10-29)26-44-36(32)39(50)47-22-15-31(16-23-47)37(48)30-11-13-35(52-4)14-12-30/h7-14,24,26,31,34H,5-6,15-23,27H2,1-4H3,(H,43,51)(H,45,49)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328279 (N-(1-(4- cyanophenyl)piperidin- 4-yl)-6-(4-(4- flu...) Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(CC2)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C30H31FN6O2/c31-25-6-1-23(2-7-25)21-35-15-17-37(18-16-35)30(39)28-10-5-24(20-33-28)29(38)34-26-11-13-36(14-12-26)27-8-3-22(19-32)4-9-27/h1-10,20,26H,11-18,21H2,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328280 (6-(4-(4-cyanophenoxy) piperidine-1-carbonyl)- N-(...) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C#N)c1ccc(nc1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N Show InChI InChI=1S/C31H30N6O3/c32-19-22-1-6-26(7-2-22)36-15-11-25(12-16-36)35-30(38)24-5-10-29(34-21-24)31(39)37-17-13-28(14-18-37)40-27-8-3-23(20-33)4-9-27/h1-10,21,25,28H,11-18H2,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328281 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-5-(4-(thioph...) Show SMILES O=C(NC1CCN(Cc2ccc(cc2)C#N)CC1)c1ccc(cn1)C(=O)N1CCC(CC1)C(=O)c1cccs1 Show InChI InChI=1S/C30H31N5O3S/c31-18-21-3-5-22(6-4-21)20-34-13-11-25(12-14-34)33-29(37)26-8-7-24(19-32-26)30(38)35-15-9-23(10-16-35)28(36)27-2-1-17-39-27/h1-8,17,19,23,25H,9-16,20H2,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328282 (6-(4-(4-cyanophenoxy) piperidine-1-carbonyl)- N-(...) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)NC(=O)c1ccc(nc1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N Show InChI InChI=1S/C31H33N5O5S/c1-42(39,40)28-9-5-25(6-10-28)35-16-12-24(13-17-35)34-30(37)23-4-11-29(33-21-23)31(38)36-18-14-27(15-19-36)41-26-7-2-22(20-32)3-8-26/h2-11,21,24,27H,12-19H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328283 (6-(4-(4- fluorobenzyl)piperazine- 1-carbonyl)-N-(1...) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCC(CC1)NC(=O)c1ccc(nc1)C(=O)N1CCC(CC1)Oc1ccc(F)cc1 Show InChI InChI=1S/C30H33FN4O5S/c1-41(38,39)27-9-5-24(6-10-27)34-16-12-23(13-17-34)33-29(36)21-2-11-28(32-20-21)30(37)35-18-14-26(15-19-35)40-25-7-3-22(31)4-8-25/h2-11,20,23,26H,12-19H2,1H3,(H,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328284 (6-(4-(4-cyanophenoxy) piperidine-1-carbonyl)- N-(...) Show SMILES Fc1ccc(cc1)N1CCC(CC1)NC(=O)c1ccc(nc1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N Show InChI InChI=1S/C30H30FN5O3/c31-23-4-6-25(7-5-23)35-15-11-24(12-16-35)34-29(37)22-3-10-28(33-20-22)30(38)36-17-13-27(14-18-36)39-26-8-1-21(19-32)2-9-26/h1-10,20,24,27H,11-18H2,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328285 (6-(4-(4-cyanophenoxy) piperidine-1-carbonyl)- N-(...) Show SMILES COc1ccc(cc1)N1CCC(CC1)NC(=O)c1ccc(nc1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C#N Show InChI InChI=1S/C31H33N5O4/c1-39-26-9-5-25(6-10-26)35-16-12-24(13-17-35)34-30(37)23-4-11-29(33-21-23)31(38)36-18-14-28(15-19-36)40-27-7-2-22(20-32)3-8-27/h2-11,21,24,28H,12-19H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328286 (6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)- N...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 Show InChI InChI=1S/C33H35F3N4O5/c1-44-27-8-5-23(6-9-27)30(41)24-11-17-40(18-12-24)32(43)29-10-7-25(20-37-29)31(42)38-26-13-15-39(16-14-26)21-22-3-2-4-28(19-22)45-33(34,35)36/h2-10,19-20,24,26H,11-18,21H2,1H3,(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328287 (6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)- N...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 Show InChI InChI=1S/C33H38N4O5/c1-41-28-9-6-24(7-10-28)31(38)25-12-18-37(19-13-25)33(40)30-11-8-26(21-34-30)32(39)35-27-14-16-36(17-15-27)22-23-4-3-5-29(20-23)42-2/h3-11,20-21,25,27H,12-19,22H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328288 (N-((3S,4R)-3-fluoro-1- ((5-methylisoxazol-3- yl)me...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2cc(C)on2)C[C@@H]1F |r| Show InChI InChI=1S/C30H34FN5O5/c1-19-15-23(34-41-19)17-35-12-11-26(25(31)18-35)33-29(38)22-5-8-27(32-16-22)30(39)36-13-9-21(10-14-36)28(37)20-3-6-24(40-2)7-4-20/h3-8,15-16,21,25-26H,9-14,17-18H2,1-2H3,(H,33,38)/t25-,26?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328289 (N-((3S,4R)-3-fluoro-1- ((2-methylthiazol-4- yl)met...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2csc(C)n2)C[C@@H]1F |r| Show InChI InChI=1S/C30H34FN5O4S/c1-19-33-23(18-41-19)16-35-12-11-26(25(31)17-35)34-29(38)22-5-8-27(32-15-22)30(39)36-13-9-21(10-14-36)28(37)20-3-6-24(40-2)7-4-20/h3-8,15,18,21,25-26H,9-14,16-17H2,1-2H3,(H,34,38)/t25-,26?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328290 (6-(4-(4- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES CC(=O)Nc1ccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)cc1 Show InChI InChI=1S/C33H36F3N5O5/c1-22(42)38-25-6-8-27(9-7-25)45-28-13-17-41(18-14-28)32(44)30-10-5-24(20-37-30)31(43)39-26-11-15-40(16-12-26)21-23-3-2-4-29(19-23)46-33(34,35)36/h2-10,19-20,26,28H,11-18,21H2,1H3,(H,38,42)(H,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328291 (6-(4-(3- acetamidophenoxy) piperidine-1-carbonyl)...) Show SMILES CC(=O)Nc1cccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)c1 Show InChI InChI=1S/C33H36F3N5O5/c1-22(42)38-26-5-3-6-28(19-26)45-27-12-16-41(17-13-27)32(44)30-9-8-24(20-37-30)31(43)39-25-10-14-40(15-11-25)21-23-4-2-7-29(18-23)46-33(34,35)36/h2-9,18-20,25,27H,10-17,21H2,1H3,(H,38,42)(H,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328292 (6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)- N...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C33H35F3N4O5/c1-44-27-9-4-23(5-10-27)30(41)24-12-18-40(19-13-24)32(43)29-11-6-25(20-37-29)31(42)38-26-14-16-39(17-15-26)21-22-2-7-28(8-3-22)45-33(34,35)36/h2-11,20,24,26H,12-19,21H2,1H3,(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328293 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-6-(4-(cyclop...) Show SMILES O=C(Nc1cccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)c1)C1CC1 Show InChI InChI=1S/C35H38N6O4/c36-21-24-4-6-25(7-5-24)23-40-16-12-28(13-17-40)38-34(43)27-10-11-32(37-22-27)35(44)41-18-14-30(15-19-41)45-31-3-1-2-29(20-31)39-33(42)26-8-9-26/h1-7,10-11,20,22,26,28,30H,8-9,12-19,23H2,(H,38,43)(H,39,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328294 (6-(4-(3-(cyclopropane- carboxamido)phenoxy) piper...) Show SMILES Fc1ccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)Oc2cccc(NC(=O)C3CC3)c2)cc1 Show InChI InChI=1S/C34H38FN5O4/c35-26-9-4-23(5-10-26)22-39-16-12-27(13-17-39)37-33(42)25-8-11-31(36-21-25)34(43)40-18-14-29(15-19-40)44-30-3-1-2-28(20-30)38-32(41)24-6-7-24/h1-5,8-11,20-21,24,27,29H,6-7,12-19,22H2,(H,37,42)(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	750	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328295 (6-(4-(3-(cyclopropane- carboxamido)phenoxy) piper...) Show SMILES Fc1ccc(Oc2ccc(NC(=O)c3ccc(nc3)C(=O)N3CCC(CC3)Oc3cccc(NC(=O)C4CC4)c3)cn2)cc1 Show InChI InChI=1S/C33H30FN5O5/c34-23-7-10-26(11-8-23)44-30-13-9-25(20-36-30)38-32(41)22-6-12-29(35-19-22)33(42)39-16-14-27(15-17-39)43-28-3-1-2-24(18-28)37-31(40)21-4-5-21/h1-3,6-13,18-21,27H,4-5,14-17H2,(H,37,40)(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328296 (N-((cis)-4-(4- cyanophenoxy) cyclohexyl)-6-(4-(3-...) Show SMILES O=C(Nc1cccc(OC2CCN(CC2)C(=O)c2ccc(cn2)C(=O)NC2CC[C@@H](CC2)Oc2ccc(cc2)C#N)c1)C1CC1 |r,wU:29.34,(-13.9,1.15,;-13.9,-.38,;-12.57,-1.15,;-11.23,-.38,;-11.23,1.15,;-9.9,1.93,;-8.57,1.15,;-8.57,-.38,;-7.23,-1.15,;-5.9,-.38,;-4.56,-1.15,;-3.23,-.38,;-3.23,1.15,;-4.56,1.93,;-5.9,1.15,;-1.9,1.93,;-1.9,3.47,;-.56,1.15,;-.56,-.38,;.77,-1.15,;2.1,-.38,;2.1,1.15,;.77,1.93,;3.44,-1.15,;3.44,-2.69,;4.77,-.38,;6.1,-1.15,;6.1,-2.69,;7.44,-3.47,;8.77,-2.69,;8.77,-1.15,;7.44,-.38,;10.11,-3.47,;11.44,-2.69,;12.77,-3.47,;14.11,-2.69,;14.15,-1.13,;12.77,-.38,;11.44,-1.15,;15.49,-.36,;16.82,.41,;-9.9,-1.15,;-15.23,-1.15,;-16.77,-1.15,;-16,-2.49,)| Show InChI InChI=1S/C35H37N5O5/c36-21-23-4-11-28(12-5-23)44-29-13-9-26(10-14-29)38-34(42)25-8-15-32(37-22-25)35(43)40-18-16-30(17-19-40)45-31-3-1-2-27(20-31)39-33(41)24-6-7-24/h1-5,8,11-12,15,20,22,24,26,29-30H,6-7,9-10,13-14,16-19H2,(H,38,42)(H,39,41)/t26?,29-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328297 (6-(4-(3-(cyclopropane- carboxamido)phenoxy) piper...) Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)Oc2cccc(NC(=O)C3CC3)c2)cc1 Show InChI InChI=1S/C35H41N5O5/c1-44-29-10-5-24(6-11-29)23-39-17-13-27(14-18-39)37-34(42)26-9-12-32(36-22-26)35(43)40-19-15-30(16-20-40)45-31-4-2-3-28(21-31)38-33(41)25-7-8-25/h2-6,9-12,21-22,25,27,30H,7-8,13-20,23H2,1H3,(H,37,42)(H,38,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328298 (N-(1-(4- cyanobenzyl)piperidin-4- yl)-6-(4-(4- (tr...) Show SMILES FC(F)(F)Sc1ccc(OC2CCN(CC2)C(=O)c2ccc(nn2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C31H31F3N6O3S/c32-31(33,34)44-26-7-5-24(6-8-26)43-25-13-17-40(18-14-25)30(42)28-10-9-27(37-38-28)29(41)36-23-11-15-39(16-12-23)20-22-3-1-21(19-35)2-4-22/h1-10,23,25H,11-18,20H2,(H,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328299 (6-(4-(4-acetylphenoxy) piperidine-1-carbonyl)- N-...) Show SMILES CC(=O)c1ccc(OC2CCN(CC2)C(=O)c2ccc(nn2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)CC2)cc1 Show InChI InChI=1S/C32H34N6O4/c1-22(39)25-6-8-27(9-7-25)42-28-14-18-38(19-15-28)32(41)30-11-10-29(35-36-30)31(40)34-26-12-16-37(17-13-26)21-24-4-2-23(20-33)3-5-24/h2-11,26,28H,12-19,21H2,1H3,(H,34,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328300 (6-(4-(3-(cyclopropane- carboxamido)phenoxy) piper...) Show SMILES FC(F)(F)Oc1ccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)Oc2cccc(NC(=O)C3CC3)c2)cc1 Show InChI InChI=1S/C35H38F3N5O5/c36-35(37,38)48-29-9-4-23(5-10-29)22-42-16-12-26(13-17-42)40-33(45)25-8-11-31(39-21-25)34(46)43-18-14-28(15-19-43)47-30-3-1-2-27(20-30)41-32(44)24-6-7-24/h1-5,8-11,20-21,24,26,28H,6-7,12-19,22H2,(H,40,45)(H,41,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328301 (N-(1-(4-methoxybenzyl) piperidin-4-yl)-6-(4-(4- (...) Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)C(=O)c2ccc(cc2)N2CCCC2)cc1 Show InChI InChI=1S/C36H43N5O4/c1-45-32-11-4-26(5-12-32)25-39-20-16-30(17-21-39)38-35(43)29-8-13-33(37-24-29)36(44)41-22-14-28(15-23-41)34(42)27-6-9-31(10-7-27)40-18-2-3-19-40/h4-13,24,28,30H,2-3,14-23,25H2,1H3,(H,38,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328302 (6-(4-(4-(pyrrolidin-1- yl)benzoyl)piperidine-1- ca...) Show SMILES FC(F)(F)Oc1ccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)C(=O)c2ccc(cc2)N2CCCC2)cc1 Show InChI InChI=1S/C36H40F3N5O4/c37-36(38,39)48-31-10-3-25(4-11-31)24-42-19-15-29(16-20-42)41-34(46)28-7-12-32(40-23-28)35(47)44-21-13-27(14-22-44)33(45)26-5-8-30(9-6-26)43-17-1-2-18-43/h3-12,23,27,29H,1-2,13-22,24H2,(H,41,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328303 (6-(4-(4-(pyrrolidin-1- yl)benzoyl)piperidine-1- ca...) Show SMILES FC(F)(F)Oc1cccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)C(=O)c2ccc(cc2)N2CCCC2)c1 Show InChI InChI=1S/C36H40F3N5O4/c37-36(38,39)48-31-5-3-4-25(22-31)24-42-18-14-29(15-19-42)41-34(46)28-8-11-32(40-23-28)35(47)44-20-12-27(13-21-44)33(45)26-6-9-30(10-7-26)43-16-1-2-17-43/h3-11,22-23,27,29H,1-2,12-21,24H2,(H,41,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328304 (N-((cis)-4-(4- cyanophenoxy) cyclohexyl)-6-(4-(4-...) Show SMILES O=C(NC1CC[C@@H](CC1)Oc1ccc(cc1)C#N)c1ccc(nc1)C(=O)N1CCC(CC1)C(=O)c1ccc(cc1)N1CCCC1 |r,wU:6.9,(2.58,-2.69,;2.58,-1.15,;3.91,-.38,;5.25,-1.15,;5.25,-2.69,;6.58,-3.47,;7.91,-2.69,;7.91,-1.15,;6.58,-.38,;9.25,-3.47,;10.58,-2.69,;11.92,-3.47,;13.25,-2.69,;13.36,-1.08,;11.92,-.38,;10.58,-1.15,;14.69,-.31,;16.02,.47,;1.25,-.38,;-.09,-1.15,;-1.42,-.38,;-1.42,1.15,;-.09,1.93,;1.25,1.15,;-2.76,1.93,;-2.76,3.47,;-4.09,1.15,;-4.09,-.38,;-5.42,-1.15,;-6.76,-.38,;-6.76,1.15,;-5.42,1.93,;-8.09,-1.15,;-8.09,-2.69,;-9.42,-.38,;-9.42,1.15,;-10.76,1.93,;-12.09,1.15,;-12.09,-.38,;-10.76,-1.15,;-13.42,1.93,;-13.9,3.39,;-15.44,3.39,;-15.92,1.93,;-14.67,1.02,)| Show InChI InChI=1S/C36H39N5O4/c37-23-25-3-12-31(13-4-25)45-32-14-8-29(9-15-32)39-35(43)28-7-16-33(38-24-28)36(44)41-21-17-27(18-22-41)34(42)26-5-10-30(11-6-26)40-19-1-2-20-40/h3-7,10-13,16,24,27,29,32H,1-2,8-9,14-15,17-22H2,(H,39,43)/t29?,32-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328305 (N-(1-(3-fluoro-4- methoxybenzyl) piperidin-4-yl)-...) Show SMILES COc1ccc(CN2CCC(CC2)NC(=O)c2ccc(nc2)C(=O)N2CCC(CC2)C(=O)c2ccc(cc2)N2CCCC2)cc1F Show InChI InChI=1S/C36H42FN5O4/c1-46-33-11-4-25(22-31(33)37)24-40-18-14-29(15-19-40)39-35(44)28-7-10-32(38-23-28)36(45)42-20-12-27(13-21-42)34(43)26-5-8-30(9-6-26)41-16-2-3-17-41/h4-11,22-23,27,29H,2-3,12-21,24H2,1H3,(H,39,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328306 (6-(4-(4-(pyrrolidin-1- yl)benzoyl)piperidine-1- ca...) Show SMILES O=C(NC1CCN(Cc2ccc(cc2)N2CCCC2)CC1)c1ccc(nc1)C(=O)N1CCC(CC1)C(=O)c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C39H48N6O3/c46-37(30-7-12-35(13-8-30)44-21-3-4-22-44)31-15-25-45(26-16-31)39(48)36-14-9-32(27-40-36)38(47)41-33-17-23-42(24-18-33)28-29-5-10-34(11-6-29)43-19-1-2-20-43/h5-14,27,31,33H,1-4,15-26,28H2,(H,41,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<500	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM328307 (6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)- N...) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cn1)C(=O)NC1CCNCC1 Show InChI InChI=1S/C25H30N4O4/c1-33-21-5-2-17(3-6-21)23(30)18-10-14-29(15-11-18)25(32)22-7-4-19(16-27-22)24(31)28-20-8-12-26-13-9-20/h2-7,16,18,20,26H,8-15H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Rigel Pharmaceuticals, Inc. US Patent					Assay Description Compounds were assayed for their ability to activate AMPK using an enzyme-linked immunosorbent assay. Reagents and procedures for measuring AMPK acti...				US Patent US9663496 (2017) BindingDB Entry DOI: 10.7270/Q26975P8
					More data for this Ligand-Target Pair

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