Compile Data Set for Download or QSAR

Found 11988 hits Enz. Inhib. hit(s) with Target = 'Tau'   

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-1 (Homo sapiens (Human))	BDBM543473 ((((6-chloro-5-(2'-hydroxy-[1,1'-biphenyl]-4- yl)-1...) Show SMILES Oc1ccccc1-c1ccc(cc1)-c1nc2nc(SCP(O)(O)=O)[nH]c2cc1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.550	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM543471 ((((6-chloro-5-(2'-hydroxy-[1,1'-biphenyl]-4- yl)-1...) Show SMILES CP(O)(=O)CSc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.970	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM543477 (2-((6-chloro-5-(2'-hydroxy-4'-(1H-1,2,4- triazol-1...) Show SMILES OC(=O)CSc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1O)-n1cncn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192505 (US9187477, 1) Show SMILES CCCC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.20	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM543470 (2-((6-chloro-5-(2'-hydroxy-[1,1'-biphenyl]-4- yl)-...) Show SMILES OC(=O)CSc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM543472 (US11279702, Compound 3 | ethyl hydrogen (((6-chlor...) Show SMILES CCOP(O)(=O)CSc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.38	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201005 (US9540364, example 15) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-c2nccc(O)n2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201004 (US9540364, example 14) Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@@H]3CO[C@H](CO)[C@H]3O)nc2c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200996 (US9540364, example 8) Show SMILES CC(CO)(CO)c1ccc(cc1)-c1ccc(cc1)-c1cc2nc(O[C@@H]3CO[C@H](CO)[C@H]3O)[nH]c2cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201001 (US9540364, example 13) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-n2ccnn2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201006 (US9540364, example 16) Show SMILES CC(CO)(CO)c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@@H]3CO[C@H](CO)[C@H]3O)nc2c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192510 (US9187477, 6) Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@H]1CC[C@@H](CC1)OC(=O)N1CCOCC1 |r,wU:26.30,5.10,1.0,wD:29.37,(13.03,-6.2,;12.26,-4.87,;12.73,-3.4,;11.49,-2.5,;10.24,-3.4,;8.7,-3.4,;8.23,-4.87,;9.47,-5.77,;10.72,-4.87,;7.93,-2.07,;6.39,-2.07,;5.49,-3.31,;4.02,-2.84,;2.69,-3.61,;1.35,-2.84,;.02,-3.61,;1.35,-1.3,;2.69,-.53,;4.02,-1.3,;5.49,-.82,;.02,-.53,;.02,1.01,;-1.31,1.78,;-2.65,1.01,;-2.65,-.53,;-1.31,-1.3,;-3.69,1.73,;-5.03,.96,;-6.36,1.73,;-6.36,3.27,;-5.03,4.04,;-3.69,3.27,;-7.69,4.04,;-9.03,3.27,;-9.03,1.73,;-10.36,4.04,;-11.69,3.27,;-13.03,4.04,;-13.03,5.58,;-11.69,6.35,;-10.36,5.58,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200992 (US9540364, example 3) Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc2nc(O[C@@H]3CO[C@H](CO)[C@H]3O)[nH]c2cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200995 (US9540364, example 7) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-n2ccnn2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192508 (US9187477, 16 | US9187477, 4) Show SMILES CC(C)OC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	12	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192513 (US9187477, 9) Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@H]1CC[C@@H](CC1)OC(=O)N1CCCC1 |r,wU:26.30,5.10,1.0,wD:29.37,(12.88,-6.05,;12.11,-4.72,;12.58,-3.25,;11.34,-2.35,;10.09,-3.25,;8.55,-3.25,;8.08,-4.72,;9.32,-5.62,;10.57,-4.72,;7.78,-1.92,;6.24,-1.92,;5.34,-3.17,;3.87,-2.69,;2.54,-3.46,;1.21,-2.69,;-.13,-3.46,;1.21,-1.15,;2.54,-.38,;3.87,-1.15,;5.34,-.67,;-.13,-.38,;-.13,1.16,;-1.46,1.93,;-2.8,1.16,;-2.8,-.38,;-1.46,-1.15,;-3.84,1.88,;-5.17,1.11,;-6.51,1.88,;-6.51,3.42,;-5.17,4.19,;-3.84,3.42,;-7.84,4.19,;-9.18,3.42,;-9.18,1.88,;-10.51,4.19,;-10.51,5.73,;-11.97,6.21,;-12.88,4.96,;-11.97,3.71,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	17	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM543476 (2-((5-(4'-(1H-1,2,4-triazol-1-yl)-[1,1'- biphenyl]...) Show SMILES OC(=O)CSc1nc2nc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccc(cc1)-n1cncn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201007 (US9540364, example 17) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-n2cccn2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	20	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50393082 (CHEMBL2152858) Show SMILES Clc1ccc2[nH]cc(CCNC(=O)c3ccc(cc3)-c3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C24H18ClN3O/c25-21-8-9-23-22(13-21)20(15-28-23)10-11-27-24(29)18-6-4-17(5-7-18)19-3-1-2-16(12-19)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Tau phosphorylation by cell based assay				ACS Med Chem Lett 3: 788-788 (2012) Article DOI: 10.1021/ml3002488 BindingDB Entry DOI: 10.7270/Q2H9968V
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192514 (US9187477, 10) Show SMILES CCNC(=O)O[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r,wU:9.12,24.25,28.30,6.5,(-12.36,6.35,;-11.03,5.58,;-11.03,4.04,;-9.69,3.27,;-9.69,1.73,;-8.36,4.04,;-7.03,3.27,;-5.69,4.04,;-4.36,3.27,;-4.36,1.73,;-5.69,.96,;-7.03,1.73,;-3.31,1.01,;-1.98,1.78,;-.65,1.01,;-.65,-.53,;-1.98,-1.3,;-3.31,-.53,;.69,-1.3,;2.02,-.53,;3.35,-1.3,;4.82,-.82,;5.72,-2.07,;7.26,-2.07,;8.03,-3.4,;7.56,-4.87,;8.8,-5.77,;10.05,-4.87,;11.59,-4.87,;12.36,-6.2,;12.07,-3.4,;10.82,-2.5,;9.57,-3.4,;4.82,-3.31,;3.35,-2.84,;2.02,-3.61,;.69,-2.84,;-.65,-3.61,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	26	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192506 (US9187477, 2) Show SMILES CN(C)C(=O)OC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	32	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200997 (US9540364, example 9) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-n2cccn2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	33	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201008 (US9540364, example 18) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)C2CNCCO2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	34	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200998 (US9540364, example 10) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)C2CNCCO2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	34	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192515 (US9187477, 11) Show SMILES CC(C)NC(=O)O[C@H]1CC[C@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r,wU:10.13,25.26,29.31,7.6,(-12.36,6.35,;-11.03,5.58,;-9.69,6.35,;-11.03,4.04,;-9.69,3.27,;-9.69,1.73,;-8.36,4.04,;-7.03,3.27,;-5.69,4.04,;-4.36,3.27,;-4.36,1.73,;-5.69,.96,;-7.03,1.73,;-3.31,1.01,;-1.98,1.78,;-.65,1.01,;-.65,-.53,;-1.98,-1.3,;-3.31,-.53,;.69,-1.3,;2.02,-.53,;3.35,-1.3,;4.82,-.82,;5.72,-2.07,;7.26,-2.07,;8.03,-3.4,;7.56,-4.87,;8.8,-5.77,;10.05,-4.87,;11.59,-4.87,;12.36,-6.2,;12.07,-3.4,;10.82,-2.5,;9.57,-3.4,;4.82,-3.31,;3.35,-2.84,;2.02,-3.61,;.69,-2.84,;-.65,-3.61,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	35	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201011 (US9540364, example 21) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2F)C#N)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	38	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM543475 ((S)-2-((6-chloro-5-(4-(3-hydroxypyrrolidin- 1-yl)p...) Show SMILES O[C@H]1CCN(C1)c1ccc(cc1)-c1nc2nc(SCC(O)=O)[nH]c2cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201010 (US9540364, example 20) Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@@H]3CO[C@H](CO)[C@H]3O)nc2c1F |r| Show InChI InChI=1S/C28H22F2N4O4/c1-14-10-20(34-33-14)17-6-2-15(3-7-17)16-4-8-18(9-5-16)24-19(29)11-21-26(25(24)30)32-28(31-21)38-23-13-37-22(12-35)27(23)36/h2-11,22-23,27,35-36H,12-13H2,1H3/b16-15-,20-17-,24-18+/t22-,23-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	50	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM201009 (US9540364, example 19) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3c(F)c(c(F)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-c2nccs2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	67	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200999 (US9540364, example 12) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2)-c2nccs2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	76	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200993 (US9540364, example 4) Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)-c1ccc(cc1)-c1cc2nc(O[C@@H]3CO[C@H](CO)[C@H]3O)[nH]c2cc1Cl |r| Show InChI InChI=1S/C28H23ClN4O4/c1-15-10-22(33-32-15)19-8-4-17(5-9-19)16-2-6-18(7-3-16)20-11-23-24(12-21(20)29)31-28(30-23)37-26-14-36-25(13-34)27(26)35/h2-12,25-27,34-35H,13-14H2,1H3/b17-16-,20-18-,22-19-/t25-,26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	104	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192507 (US9187477, 3) Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC(=O)OC1CCCC1 |r,wU:26.30,5.10,1.0,29.37,(12.46,-7.02,;11.69,-5.69,;12.17,-4.23,;10.92,-3.32,;9.68,-4.23,;8.14,-4.23,;7.66,-5.69,;8.91,-6.6,;10.15,-5.69,;7.36,-2.89,;5.83,-2.89,;4.92,-4.14,;3.46,-3.66,;2.12,-4.43,;.79,-3.66,;-.55,-4.43,;.79,-2.12,;2.12,-1.35,;3.46,-2.12,;4.92,-1.65,;-.55,-1.35,;-.55,.19,;-1.88,.96,;-3.21,.19,;-3.21,-1.35,;-1.88,-2.12,;-4.55,.96,;-4.55,2.5,;-5.88,3.27,;-7.21,2.5,;-7.21,.96,;-5.88,.19,;-8.55,3.27,;-9.88,2.5,;-9.88,.96,;-11.21,3.27,;-11.21,4.81,;-9.97,5.71,;-10.45,7.18,;-11.99,7.18,;-12.46,5.71,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	108	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192509 (US9187477, 5) Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)NC(=O)OC1CCOCC1 |r,wU:26.30,5.10,1.0,29.37,(12.5,-7.38,;11.73,-6.05,;12.21,-4.58,;10.96,-3.68,;9.72,-4.58,;8.18,-4.58,;7.7,-6.05,;8.95,-6.95,;10.19,-6.05,;7.41,-3.25,;5.87,-3.25,;4.96,-4.49,;3.5,-4.02,;2.17,-4.79,;.83,-4.02,;-.5,-4.79,;.83,-2.48,;2.17,-1.71,;3.5,-2.48,;4.96,-2,;-.5,-1.71,;-.5,-.17,;-1.84,.6,;-3.17,-.17,;-3.17,-1.71,;-1.84,-2.48,;-4.5,.6,;-4.5,2.14,;-5.84,2.91,;-7.17,2.14,;-7.17,.6,;-5.84,-.17,;-8.5,2.91,;-9.84,2.14,;-9.84,.6,;-11.17,2.91,;-11.17,4.45,;-12.5,5.22,;-12.5,6.76,;-11.17,7.53,;-9.84,6.76,;-9.84,5.22,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	119	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50241461 (3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...) Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)| Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Jining Medical University Curated by ChEMBL					Assay Description Inhibition of tau-tau binding (unknown origin) assessed as increase in dissolved paired helical filaments				Eur J Med Chem 169: 200-223 (2019) Article DOI: 10.1016/j.ejmech.2019.02.076 BindingDB Entry DOI: 10.7270/Q2MS3X47
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192519 (US9187477, 15) Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)N1CCC(CC1)OC(=O)N1CCOCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	133	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50393081 (CHEMBL2152857) Show SMILES Clc1ccc2[nH]cc(CCNC(=O)c3cccc(c3)-c3ccccc3C#N)c2c1 Show InChI InChI=1S/C24H18ClN3O/c25-20-8-9-23-22(13-20)19(15-28-23)10-11-27-24(29)17-6-3-5-16(12-17)21-7-2-1-4-18(21)14-26/h1-9,12-13,15,28H,10-11H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	169	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Tau phosphorylation by cell based assay				ACS Med Chem Lett 3: 788-788 (2012) Article DOI: 10.1021/ml3002488 BindingDB Entry DOI: 10.7270/Q2H9968V
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM543469 (US11279702, Compound A1) Show SMILES OC(=O)CSc1nc2cc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1ccccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200994 (US9540364, example 5) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccc(cc2F)C#N)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	209	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM200907 (US9540364, example 1) Show SMILES OC[C@H]1OC[C@@H](Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)[C@@H]1O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	n/a	n/a	216	n/a	n/a	7.3	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The in vitro AMPK activation assay is performed in a volume of 30 μl in a 384-well plate. Enzyme reactions were assembled in the microtiter plat...				US Patent US9540364 (2017) BindingDB Entry DOI: 10.7270/Q2SB43X2
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192508 (US9187477, 16 | US9187477, 4) Show SMILES CC(C)OC(=O)NC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	290	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50393083 (CHEMBL2152859) Show SMILES Clc1ccc2[nH]cc(CCNC(=O)c3ccccc3-c3ccc(cc3)C#N)c2c1 Show InChI InChI=1S/C24H18ClN3O/c25-19-9-10-23-22(13-19)18(15-28-23)11-12-27-24(29)21-4-2-1-3-20(21)17-7-5-16(14-26)6-8-17/h1-10,13,15,28H,11-12H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	325	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Tau phosphorylation by cell based assay				ACS Med Chem Lett 3: 788-788 (2012) Article DOI: 10.1021/ml3002488 BindingDB Entry DOI: 10.7270/Q2H9968V
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192512 (US9187477, 8) Show SMILES CC(C)NC(=O)O[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r,wU:10.13,25.26,29.31,wD:7.6,(-12.36,6.35,;-11.03,5.58,;-9.69,6.35,;-11.03,4.04,;-9.69,3.27,;-9.69,1.73,;-8.36,4.04,;-7.03,3.27,;-7.03,1.73,;-5.69,.96,;-4.36,1.73,;-4.36,3.27,;-5.69,4.04,;-3.31,1.01,;-1.98,1.78,;-.65,1.01,;-.65,-.53,;-1.98,-1.3,;-3.31,-.53,;.69,-1.3,;2.02,-.53,;3.35,-1.3,;4.82,-.82,;5.72,-2.07,;7.26,-2.07,;8.03,-3.4,;7.56,-4.87,;8.8,-5.77,;10.05,-4.87,;11.59,-4.87,;12.36,-6.2,;12.07,-3.4,;10.82,-2.5,;9.57,-3.4,;4.82,-3.31,;3.35,-2.84,;2.02,-3.61,;.69,-2.84,;-.65,-3.61,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	339	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192511 (US9187477, 7) Show SMILES CCNC(=O)O[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r,wU:9.12,24.25,28.30,wD:6.5,(-12.36,6.35,;-11.03,5.58,;-11.03,4.04,;-9.69,3.27,;-9.69,1.73,;-8.36,4.04,;-7.03,3.27,;-7.03,1.73,;-5.69,.96,;-4.36,1.73,;-4.36,3.27,;-5.69,4.04,;-3.31,1.01,;-1.98,1.78,;-.65,1.01,;-.65,-.53,;-1.98,-1.3,;-3.31,-.53,;.69,-1.3,;2.02,-.53,;3.35,-1.3,;4.82,-.82,;5.72,-2.07,;7.26,-2.07,;8.03,-3.4,;7.56,-4.87,;8.8,-5.77,;10.05,-4.87,;11.59,-4.87,;12.36,-6.2,;12.07,-3.4,;10.82,-2.5,;9.57,-3.4,;4.82,-3.31,;3.35,-2.84,;2.02,-3.61,;.69,-2.84,;-.65,-3.61,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	468	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192518 (US9187477, 14) Show SMILES CC(C)NC(=O)OC1CCN(CC1)c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3COC4[C@H](O)COC34)nc2cc1Cl |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	578	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50241461 (3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...) Show SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)| Show InChI InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	590	n/a	n/a	n/a	n/a
Jining Medical University Curated by ChEMBL					Assay Description Inhibition of tau aggregation (unknown origin)				Eur J Med Chem 169: 200-223 (2019) Article DOI: 10.1016/j.ejmech.2019.02.076 BindingDB Entry DOI: 10.7270/Q2MS3X47
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50114574 (CHEMBL3608921) Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)cc3C(F)(F)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C43H42F2N6O8/c1-58-41(56)48-35(25-11-5-3-6-12-25)39(54)50-21-9-15-33(50)37(52)46-27-17-19-29-30-20-18-28(24-32(30)43(44,45)31(29)23-27)47-38(53)34-16-10-22-51(34)40(55)36(49-42(57)59-2)26-13-7-4-8-14-26/h3-8,11-14,17-20,23-24,33-36H,9-10,15-16,21-22H2,1-2H3,(H,46,52)(H,47,53)(H,48,56)(H,49,57)/t33-,34-,35+,36+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	976	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by luminometry				Eur J Med Chem 101: 163-78 (2015) Article DOI: 10.1016/j.ejmech.2015.06.033 BindingDB Entry DOI: 10.7270/Q28K7BWD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50114573 (CHEMBL3608920) Show SMILES COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC)c4ccccc4)cc3C(C)(C)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C45H48N6O8/c1-45(2)33-25-29(46-39(52)35-17-11-23-50(35)41(54)37(48-43(56)58-3)27-13-7-5-8-14-27)19-21-31(33)32-22-20-30(26-34(32)45)47-40(53)36-18-12-24-51(36)42(55)38(49-44(57)59-4)28-15-9-6-10-16-28/h5-10,13-16,19-22,25-26,35-38H,11-12,17-18,23-24H2,1-4H3,(H,46,52)(H,47,53)(H,48,56)(H,49,57)/t35-,36-,37+,38+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 by luminometry				Eur J Med Chem 101: 163-78 (2015) Article DOI: 10.1016/j.ejmech.2015.06.033 BindingDB Entry DOI: 10.7270/Q28K7BWD
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM543474 (2-((6-chloro-5-(4'-(3,3-dimethylbutyl)-2'- hydroxy...) Show SMILES CC(C)(C)CCc1ccc(c(O)c1)-c1ccc(cc1)-c1nc2nc(SCC(O)=O)[nH]c2cc1Cl Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Compound effect on AMPK enzyme activation was determined in a cell-free format with a 12-point concentration curve. The ADP-Glo detection system was ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2XW4P0R
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM192516 (US9187477, 12) Show SMILES O[C@@H]1COC2[C@@H](COC12)Oc1nc2cc(Cl)c(nc2[nH]1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC1)OC(=O)N1CCOCC1 |r,wU:26.30,5.10,1.0,29.37,(13.03,-6.2,;12.26,-4.87,;12.73,-3.4,;11.49,-2.5,;10.24,-3.4,;8.7,-3.4,;8.23,-4.87,;9.47,-5.77,;10.72,-4.87,;7.93,-2.07,;6.39,-2.07,;5.49,-3.31,;4.02,-2.84,;2.69,-3.61,;1.35,-2.84,;.02,-3.61,;1.35,-1.3,;2.69,-.53,;4.02,-1.3,;5.49,-.82,;.02,-.53,;.02,1.01,;-1.31,1.78,;-2.65,1.01,;-2.65,-.53,;-1.31,-1.3,;-3.69,1.73,;-3.69,3.27,;-5.03,4.04,;-6.36,3.27,;-6.36,1.73,;-5.03,.96,;-7.69,4.04,;-9.03,3.27,;-9.03,1.73,;-10.36,4.04,;-11.69,3.27,;-13.03,4.04,;-13.03,5.58,;-11.69,6.35,;-10.36,5.58,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.31E+3	n/a	n/a	7.0	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Activated AMPK complex 1 (containing alphal betalgammal ) was obtained from baculovirus expression system. The gene encoding AMPK alphal was cloned i...				US Patent US9187477 (2015) BindingDB Entry DOI: 10.7270/Q2CR5S58
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50577263 (CHEMBL4850236) Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Induction of CYP3A4 in human hepatocytes				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00363 BindingDB Entry DOI: 10.7270/Q22B92V4
					More data for this Ligand-Target Pair

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