BDBM32370 adenosine-derived inhibitor (Grp78), 2::adenosine-derived inhibitor, 4

SMILES Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=DVGWFQILDUEEGX-UUOKFMHZSA-N

Data  3 KI  1 IC50  5 Kd  1 K_off  1 ITC

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 32370   

TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataKi:  4.46E+3nM ΔG°:  -7.29kcal/molepH: 7.4 T: 2°CAssay Description:The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

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In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataKi:  2.41E+4nMAssay Description:Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligandMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

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TargetAdenosine deaminase(Bos taurus (bovine))
Bar-Ilan University

Curated by ChEMBL

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataKi:  8.95E+4nMAssay Description:Inhibition of calf placental adenosine deaminase by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataKd:  6.92E+3nMAssay Description:Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataKd:  7.00E+3nMAssay Description:Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetEndoplasmic reticulum chaperone BiP(Homo sapiens (Human))
Vernalis (R&D)

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataKd:  6.80E+3nM K_on: >1M^-1s^-1pH: 7.4 T: 2°CAssay Description:SPR measurements wereperformed on BIAcore T100 instrument (BIAcore GE Healthcare), at25 C on series S NTA chips (certified) according to provider'...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataKd:  1.10E+4nMpH: 7.4 T: 2°CAssay Description:All experiments were performed on a Biacore T100 at 25 deg C with a flow rate of 30 uL per minute. Double His-tagged HSP70 was immobilised on the sur...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataIC50:  9.40E+3nMpH: 7.4 T: 2°CAssay Description:A fluorescein-labeled ATP-based probe was utilized, which binds to the GST fused ATPase domain (amino acids 3-383) of HSP70, producing an increase in...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
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TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandBDBM32370(adenosine-derived inhibitor (Grp78), 2 | adenosine...)Copy SMILESCopy InChI

Affinity DataKd:  1.10E+4nMpH: 7.4 T: 2°CAssay Description:SPR measurements wereperformed on BIAcore T100 instrument (BIAcore GE Healthcare), at25 C on series S NTA chips (certified) according to provider'...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI