BindingDB PrimarySearch

BDBM238079 US9394285, 173

SMILES: COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C

InChI Key: InChIKey=MJHBRTGGZYSCHJ-UHFFFAOYSA-N

Data: 1 IC50 2 Kd 7 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 238079
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))	BDBM238079 (US9394285, 173) 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	11.7	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)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) 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	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
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))	BDBM238079 (US9394285, 173) 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	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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha2/beta2/gamma3 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) 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 Complex 1 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) 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	14	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 gamma-1 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) 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))	BDBM238079 (US9394285, 173) 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	7	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))	BDBM238079 (US9394285, 173) 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	27	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)
AMPK alpha1/beta2/gamma1 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) 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 subunit beta-1 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) 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	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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)