BindingDB PrimarySearch

BDBM237920 US9394285, 1

SMILES: OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1

InChI Key: InChIKey=FHQXLWCFSUSXBF-UHFFFAOYSA-N

Data: 2 IC50 3 Kd 19 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 237920
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	n/a	4.20	n/a	n/a	7.5	25
Pfizer Inc. US Patent					Assay Description The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...				US Patent US9394285 (2016) BindingDB Entry DOI: 10.7270/Q2DB80Q7
Pfizer Inc. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Prkaa1/Prkab2/Prkag1 (Rattus norvegicus)	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Activation of rat hepatocytes AMPK alpha1/beta2/gamma1 expressed in baculovirus infected Sf9 cells				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701
Terns Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB 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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/beta-1/gamma-1 (Rattus norvegicus)	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB 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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphodiesterase 3 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB 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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	n/a	8.20	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 assessed as protection from Thr172 residue dephosphorylation preincubated for 15 mins follow...				J Med Chem 59: 8068-81 (2016) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB 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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB 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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha1/beta2/gamma1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB 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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha2/beta1/gamma1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha2/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...				J Med Chem 59: 8068-81 (2016) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha2/beta2/gamma3 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB 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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	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) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha2/beta2/gamma3 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase subunit gamma-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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 AMPKalpha2beta2gamma1 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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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 Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysis				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase subunit beta-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha1/beta2/gamma1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase 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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	1.90	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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha2/beta1/gamma1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	11	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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of full length human phosphorylated His-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS...				Bioorg Med Chem Lett 26: 5139-5148 (2016) Article DOI: 10.1016/j.bmcl.2016.09.065 BindingDB Entry DOI: 10.7270/Q25M67PH
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)