Compile Data Set for Download or QSAR

Found 37 hits of ic50 data for polymerid = 8119   

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))	BDBM50152595 (CHEMBL3780091) Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1 |r,wD:4.7,1.0,(6.49,7.98,;5.96,6.87,;4.42,6.74,;3.76,5.35,;4.64,4.09,;6.17,4.21,;6.83,5.6,;3.98,2.69,;4.85,1.43,;6.39,1.55,;7.26,.28,;6.61,-1.11,;5.07,-1.23,;4.54,-2.35,;4.2,.03,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,)| Show InChI InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of AMPKa1 (unknown origin)				Bioorg Med Chem Lett 26: 1803-8 (2016) Article DOI: 10.1016/j.bmcl.2016.02.035 BindingDB Entry DOI: 10.7270/Q23B6203
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564453 (CHEMBL4794096) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C#N)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564459 (CHEMBL4781578) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCC(N)=O)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM4817 (N-[2-(dimethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo...) Show SMILES CN(C)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C20H23FN4O2/c1-11-17(23-12(2)18(11)20(27)22-7-8-25(3)4)10-15-14-9-13(21)5-6-16(14)24-19(15)26/h5-6,9-10,23H,7-8H2,1-4H3,(H,22,27)(H,24,26)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564462 (CHEMBL4796639) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCN=[N+]=[N-])cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564448 (CHEMBL4788980) Show SMILES CCN(CC)CCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564458 (CHEMBL4788376) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCC#N)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564457 (CHEMBL4800500) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCO)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564446 (CHEMBL3542344) Show SMILES CCNCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564461 (CHEMBL4795330) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCNC(C)=O)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50212270 (CHEMBL3952214) Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O Show InChI InChI=1S/C18H17N5O/c1-12(2)23-11-19-21-17(23)15-8-5-9-16(20-15)22-10-13-6-3-4-7-14(13)18(22)24/h3-9,11-12H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRKKA1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127405 BindingDB Entry DOI: 10.7270/Q2JQ14Q8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50405896 (CHEMBL5281003) Show SMILES NS(=O)(=O)c1cc2ccc(O)cc2s1 Show InChI InChI=1S/C8H7NO3S2/c9-14(11,12)8-3-5-1-2-6(10)4-7(5)13-8/h1-4,10H,(H2,9,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compound was tested for alpha-adrenergic activity against Alpha-1 adrenergic receptor from rat aorta.				Citation and Details
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564454 (CHEMBL4792246) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CNC(N)=O)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564451 (CHEMBL4782796) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(Br)ccc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564450 (CHEMBL4786972) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(Cl)ccc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564447 (CHEMBL4799580) Show SMILES CN(C)CCCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564449 (CHEMBL4779166) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(F)ccc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM4813 (N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-{[(3Z)-2-...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C Show InChI InChI=1S/C22H28N4O2/c1-5-26(6-2)12-11-23-22(28)20-14(3)19(24-15(20)4)13-17-16-9-7-8-10-18(16)25-21(17)27/h7-10,13,24H,5-6,11-12H2,1-4H3,(H,23,28)(H,25,27)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564455 (CHEMBL4781062) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCOC)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564452 (CHEMBL4785831) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(CC)ccc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	348	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564445 (CHEMBL3542333) Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50405897 (CHEMBL5277241) Show SMILES CC(=O)OCc1ccc2sc(cc2c1)S(N)(=O)=O Show InChI InChI=1S/C11H11NO4S2/c1-7(13)16-6-8-2-3-10-9(4-8)5-11(17-10)18(12,14)15/h2-5H,6H2,1H3,(H2,12,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	409	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against Neisseria gonorrhoeae dihydrofolate reductase at 10e8 M				Citation and Details
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564456 (CHEMBL4799631) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCOC(C)=O)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	418	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50405895 (CHEMBL5279971) Show SMILES Nc1ccc2cc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C8H8N2O2S2/c9-6-2-1-5-3-8(14(10,11)12)13-7(5)4-6/h1-4H,9H2,(H2,10,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	446	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compound was tested for alpha-adrenergic activity against Alpha-1 adrenergic receptor from rat aorta.				Citation and Details
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM459444 (US10752635, Example 4, Peak 2 | US11492354, Exampl...) Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2nn(C)cc2c1N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H23F2N7O2/c1-32-12-14-21(31-32)16(26)10-18(22(14)33-9-7-13(27)11-33)30-24(34)17-6-8-28-23(29-17)20-15(25)4-3-5-19(20)35-2/h3-6,8,10,12-13H,7,9,11,27H2,1-2H3,(H,30,34)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	643	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The compound was tested for beta-adrenergic activity against Beta-2 adrenergic receptor from guinea pig trachea.				Citation and Details
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50237288 (CHEMBL4073198) Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1 Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of PRKAA1 (unknown origin)				Bioorg Med Chem Lett 27: 1709-1713 (2017) Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM444543 (US10662186, Compound 63 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C27H32F2N8/c1-16(2)37-17(3)31-26-20(28)12-19(13-23(26)37)25-21(29)14-30-27(34-25)33-24-7-6-18-15-36(11-10-35(4)5)9-8-22(18)32-24/h6-7,12-14,16H,8-11,15H2,1-5H3,(H,30,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	865	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of AMPKa1 (unknown origin)				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005 BindingDB Entry DOI: 10.7270/Q20K2CTJ
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5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50564460 (CHEMBL4779730) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(CCN(C)C)cc23)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human His6-tagged AMPK alpha1 using ULight CRBtide as substrate incubated for 1 hr followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112316 BindingDB Entry DOI: 10.7270/Q2348Q5W
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5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50384888 (CHEMBL2035810) Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1 Show InChI InChI=1S/C23H20ClN7O3/c1-2-19(32)27-10-16-12-34-23(31-16)20-21(25)28-13-29-22(20)30-14-6-7-18(17(24)9-14)33-11-15-5-3-4-8-26-15/h2-9,12-13H,1,10-11H2,(H,27,32)(H3,25,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanmi Research Center Curated by ChEMBL					Assay Description Inhibition of AMPKalpha1				J Med Chem 55: 2846-57 (2012) Article DOI: 10.1021/jm201758g BindingDB Entry DOI: 10.7270/Q23T9J8F
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5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50401152 (CHEMBL2205766) Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cellzome Ltd Curated by ChEMBL					Assay Description Inhibition of PRKAA1				Bioorg Med Chem Lett 22: 4613-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.090 BindingDB Entry DOI: 10.7270/Q2HQ412B
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5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50123803 (CHEMBL3623375) Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of human recombinant AMPKalpha1				Bioorg Med Chem Lett 25: 4534-8 (2015) Article DOI: 10.1016/j.bmcl.2015.08.068 BindingDB Entry DOI: 10.7270/Q24X59MV
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5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM236557 (US9365572, 5) Show SMILES Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1 Show InChI InChI=1S/C22H13F3N6O2/c23-22(24,25)12-2-1-3-13(8-12)31-19-14(20(32)30-21(31)33)10-27-16-6-5-15(29-18(16)19)11-4-7-17(26)28-9-11/h1-10H,(H2,26,28)(H,30,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	28
Xuanzhu Pharma Co., Ltd. US Patent					Assay Description Agents: 1-fold kinase buffer without MnCl2: 50 mM HEPES, pH 7.5, 0.0015% Brij-35, 10 mM MgCl2, 2 mM DTT. 1-fold kinase buffer with MnCl2: 50 mM HEPES...				US Patent US9365572 (2016) BindingDB Entry DOI: 10.7270/Q20C4TNC
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5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50519662 (CHEMBL4438748) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human full length AMPKalpha1 recombinant using AMARAASAAALAR as substrate incubated for 40 mins in presence of [gamma-33ATP] by radiome...				J Med Chem 62: 10691-10710 (2019) Article DOI: 10.1021/acs.jmedchem.9b01143 BindingDB Entry DOI: 10.7270/Q2MC93FG
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5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50334268 (CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of PRKAA1 (unknown origin)				Bioorg Med Chem Lett 27: 1709-1713 (2017) Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50560385 (CHEMBL4759397) Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)C2CCCCO2)n1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	<2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PRKKA1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127405 BindingDB Entry DOI: 10.7270/Q2JQ14Q8
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1 (Homo sapiens (Human))	BDBM50380246 (CHEMBL2017214) Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of AMPKA1				ACS Med Chem Lett 2: 538-543 (2011) Article DOI: 10.1021/ml200070g BindingDB Entry DOI: 10.7270/Q2NZ88N1
					More data for this Ligand-Target Pair