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   

Target5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50463100(CHEMBL4249790)Copy SMILESCopy InChI

Affinity DataEC50: >4.00E+4nMAssay Description:Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaantibodypediaantibodypediaGoogleScholar

Ligand InfoKEGGPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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Target5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50463100(CHEMBL4249790)Copy SMILESCopy InChI

Affinity DataEC50:  38nMAssay Description:Activation of full-length recombinant N-terminal His-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaantibodypediaantibodypediaGoogleScholar

Ligand InfoKEGGPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

Target5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50463100(CHEMBL4249790)Copy SMILESCopy InChI

Affinity DataKd:  113nMAssay Description:Binding affinity to Bap-tagged human AMPKalpha1beta1gamma1 expressed in Escherichia coli BL21 cells by SPR analysisMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaantibodypediaantibodypediaGoogleScholar

Ligand InfoKEGGPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

Target5'-AMP-activated protein kinase subunit beta-2(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50463100(CHEMBL4249790)Copy SMILESCopy InChI

Affinity DataEC50: >4.00E+4nMAssay Description:Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma3 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoKEGGPC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

Target5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50463100(CHEMBL4249790)Copy SMILESCopy InChI

Affinity DataEC50:  275nMAssay Description:Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta1gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
antibodypediaantibodypediaantibodypediaGoogleScholar

Ligand InfoKEGGPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

Target5'-AMP-activated protein kinase subunit gamma-1(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50463100(CHEMBL4249790)Copy SMILESCopy InChI

Affinity DataEC50: >4.00E+4nMAssay Description:Activation of full-length recombinant N-terminal His-tagged human AMPKalpha2beta2gamma1 expressed in Escherichia coli BL21 cells using Cy-5 SAMS pept...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoKEGGPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

Target5'-AMP-activated protein kinase subunit beta-1(Human)
Pfizer

Curated by ChEMBL

LigandBDBM50463100(CHEMBL4249790)Copy SMILESCopy InChI

Affinity DataIC50:  1.10E+4nMAssay Description:Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoKEGGPC cidPC sidPDB

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL