Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'reyes' and Initial = 'ar'   

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 subunit beta-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase subunit beta-1 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase subunit beta-1 (Homo sapiens (Human))	BDBM50463100 (CHEMBL4249790) Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE3A (unknown origin)				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-1 (Homo sapiens (Human))	BDBM50463101 (CHEMBL4250253) Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N(C)C |r| Show InChI InChI=1S/C23H24ClN3O9/c1-27(2)15-5-4-9(20(26-15)34-3)10-6-11-12(8-25-14(11)7-13(10)24)22(33)36-23-18(30)16(28)17(29)19(35-23)21(31)32/h4-8,16-19,23,25,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,19-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237921 (US9394285, 2) Show SMILES OCc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H12ClNO3/c17-14-6-15-12(13(7-18-15)16(20)21)5-11(14)10-3-1-9(8-19)2-4-10/h1-7,18-19H,8H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit gamma-1 (Rattus norvegicus)	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant rat AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphorylat...				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha2/beta2/gamma1 using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human BAP-tagged AMPK alpha1/beta1/gamma1 assessed as protection from Thr172 residue dephosphorylation preincubated for 15 ...				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta2/gamma1 using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237952 (US9394285, 33) Show SMILES COc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H12ClNO3/c1-21-10-4-2-9(3-5-10)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	80	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237921 (US9394285, 2) Show SMILES OCc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H12ClNO3/c17-14-6-15-12(13(7-18-15)16(20)21)5-11(14)10-3-1-9(8-19)2-4-10/h1-7,18-19H,8H2,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237952 (US9394285, 33) Show SMILES COc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H12ClNO3/c1-21-10-4-2-9(3-5-10)11-6-12-13(16(19)20)8-18-15(12)7-14(11)17/h2-8,18H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237984 (US9394285, 67) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)-c1ccccc1O Show InChI InChI=1S/C21H14ClNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit beta-2 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha2/beta2/gamma3 by using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM60978 (6-Chloro-5-(4-methoxyphenyl)-1H-indazole-3-carboxy...) Show SMILES COc1ccc(cc1)-c1cc2c(n[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C15H11ClN2O3/c1-21-9-4-2-8(3-5-9)10-6-11-13(7-12(10)16)17-18-14(11)15(19)20/h2-7H,1H3,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237984 (US9394285, 67) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)-c1ccccc1O Show InChI InChI=1S/C21H14ClNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant 5-HT2b receptor expressed in CHO cells measured after 30 mins by HTRF assay				J Med Chem 59: 8068-81 (2016) Article DOI: 10.1021/acs.jmedchem.6b00866 BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237923 (US9394285, 4) Show SMILES OC(=O)c1c[nH]c2cc(F)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16FNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237925 (US9394285, 6) Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)C3(O)CCC3)c(F)c12 Show InChI InChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM238084 (US9394285, 178 | US9394285, 179) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1CCCCO1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244636 (CHEMBL4087189) Show SMILES COc1ccc(cn1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C15H11ClN2O3/c1-21-14-3-2-8(6-18-14)9-4-10-11(15(19)20)7-17-13(10)5-12(9)16/h2-7,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244665 (CHEMBL4097332) Show SMILES CN(C)c1ccc(cn1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H14ClN3O2/c1-20(2)15-4-3-9(7-19-15)10-5-11-12(16(21)22)8-18-14(11)6-13(10)17/h3-8,18H,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244667 (CHEMBL4105032) Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244665 (CHEMBL4097332) Show SMILES CN(C)c1ccc(cn1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H14ClN3O2/c1-20(2)15-4-3-9(7-19-15)10-5-11-12(16(21)22)8-18-14(11)6-13(10)17/h3-8,18H,1-2H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244668 (CHEMBL4059813) Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM238084 (US9394285, 178 | US9394285, 179) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1CCCCO1 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237958 (US9394285, 39) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C22H23ClN2O4/c23-20-13-21-18(19(14-24-21)22(26)27)12-17(20)15-2-4-16(5-3-15)29-9-1-6-25-7-10-28-11-8-25/h2-5,12-14,24H,1,6-11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM238051 (US9394285, 139) Show SMILES OCCOc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C17H14ClNO4/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)10-1-3-11(4-2-10)23-6-5-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237925 (US9394285, 6) Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)C3(O)CCC3)c(F)c12 Show InChI InChI=1S/C19H15F2NO3/c20-13-8-14-16(12(9-22-14)18(23)24)17(21)15(13)10-2-4-11(5-3-10)19(25)6-1-7-19/h2-5,8-9,22,25H,1,6-7H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237931 (US9394285, 12) Show SMILES OC(=O)c1c[nH]c2cc(C#N)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C20H16N2O3/c21-10-13-8-18-16(17(11-22-18)19(23)24)9-15(13)12-2-4-14(5-3-12)20(25)6-1-7-20/h2-5,8-9,11,22,25H,1,6-7H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244667 (CHEMBL4105032) Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244669 (CHEMBL4079303) Show SMILES COc1ccc(c(OC)n1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H13ClN2O4/c1-22-14-4-3-8(15(19-14)23-2)9-5-10-11(16(20)21)7-18-13(10)6-12(9)17/h3-7,18H,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237931 (US9394285, 12) Show SMILES OC(=O)c1c[nH]c2cc(C#N)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C20H16N2O3/c21-10-13-8-18-16(17(11-22-18)19(23)24)9-15(13)12-2-4-14(5-3-12)20(25)6-1-7-20/h2-5,8-9,11,22,25H,1,6-7H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237958 (US9394285, 39) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C22H23ClN2O4/c23-20-13-21-18(19(14-24-21)22(26)27)12-17(20)15-2-4-16(5-3-15)29-9-1-6-25-7-10-28-11-8-25/h2-5,12-14,24H,1,6-11H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244669 (CHEMBL4079303) Show SMILES COc1ccc(c(OC)n1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C16H13ClN2O4/c1-22-14-4-3-8(15(19-14)23-2)9-5-10-11(16(20)21)7-18-13(10)6-12(9)17/h3-7,18H,1-2H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human BAP-tagged AMPK alpha1/beta1/gamma1 by SPR assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM238086 (US9394285, 181) Show SMILES COCCOc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O Show InChI InChI=1S/C18H16ClNO4/c1-23-6-7-24-12-4-2-11(3-5-12)13-8-14-15(18(21)22)10-20-17(14)9-16(13)19/h2-5,8-10,20H,6-7H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM237923 (US9394285, 4) Show SMILES OC(=O)c1c[nH]c2cc(F)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16FNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Allosteric activation of human AMPK alpha1/beta1/gamma1 by TR-FRET assay				J Med Chem 61: 2372-2383 (2018) Article DOI: 10.1021/acs.jmedchem.7b01641 BindingDB Entry DOI: 10.7270/Q2028TZT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1 (Homo sapiens (Human))	BDBM50463099 (CHEMBL4246000) Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(F)c(c(F)c23)-c2ccc(cc2)[C@@H]2CCCCO2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C26H25F2NO9/c27-14-9-15-18(19(28)17(14)12-6-4-11(5-7-12)16-3-1-2-8-36-16)13(10-29-15)25(35)38-26-22(32)20(30)21(31)23(37-26)24(33)34/h4-7,9-10,16,20-23,26,29-32H,1-3,8H2,(H,33,34)/t16-,20-,21-,22+,23-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase subunit beta-2 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1 (Homo sapiens (Human))	BDBM50463100 (CHEMBL4249790) Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50463100 (CHEMBL4249790) Show SMILES O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C25H24ClNO9/c26-16-9-17-14(8-13(16)11-2-4-12(5-3-11)25(34)6-1-7-25)15(10-27-17)23(33)36-24-20(30)18(28)19(29)21(35-24)22(31)32/h2-5,8-10,18-21,24,27-30,34H,1,6-7H2,(H,31,32)/t18-,19-,20+,21-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1 (Homo sapiens (Human))	BDBM50244667 (CHEMBL4105032) Show SMILES OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCCO3)c(F)c12 |r| Show InChI InChI=1S/C20H17F2NO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair

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