BindingDB PrimarySearch

BDBM50463100 CHEMBL4249790

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

InChI Key: InChIKey=LTLTUJCGZGVBTO-DCIKREJASA-N

Data: 1 IC50 1 Kd 5 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50463100
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
AMPK alpha1/beta2/gamma1 (Homo sapiens (Human))	BDBM50463100 (CHEMBL4249790) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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
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))	BDBM50463100 (CHEMBL4249790) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	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
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))	BDBM50463100 (CHEMBL4249790) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	113	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-2 (Homo sapiens (Human))	BDBM50463100 (CHEMBL4249790) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG 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
AMPK alpha2/beta1/gamma1 (Homo sapiens (Human))	BDBM50463100 (CHEMBL4249790) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	275	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 subunit gamma-1 (Homo sapiens (Human))	BDBM50463100 (CHEMBL4249790) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank 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 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 subunit beta-1 (Homo sapiens (Human))	BDBM50463100 (CHEMBL4249790) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)