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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50013789   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569664
PNG
(CHEMBL4859451)
Show SMILES COc1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O
PDB

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n/an/a 0.00500n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569663
PNG
(CHEMBL4870155)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(C)(F)F)n1
PDB

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n/an/a 0.0270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569667
PNG
(CHEMBL4848845)
Show SMILES CO[C@@H](C)c1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O |r|
PDB

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n/an/a 0.0370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569665
PNG
(CHEMBL4864568)
Show SMILES COCc1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O
PDB

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n/an/a 0.0370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569669
PNG
(CHEMBL4866139)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2S(N)(=O)=O)n1
PDB

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n/an/a 0.0520n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569672
PNG
(CHEMBL4865305)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2CO)n1
PDB

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n/an/a 0.0610n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569666
PNG
(CHEMBL4855158)
Show SMILES COC(C)c1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O
PDB

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n/an/a 0.0670n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569657
PNG
(CHEMBL4863492)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2Br)n1
PDB

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n/an/a 0.0940n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569661
PNG
(CHEMBL4872743)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(F)(F)F)n1
PDB

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n/an/a 0.110n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569659
PNG
(CHEMBL4866616)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2Cl)n1
PDB

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n/an/a 0.130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569671
PNG
(CHEMBL4860645)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C2CCCO2)n1
PDB

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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552514
PNG
(2-((2-Methoxy-4-(4-methylpiperazine-1-carbonyl)phe...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2F)n1
PDB

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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569660
PNG
(CHEMBL4849567)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C)n1
PDB

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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569668
PNG
(CHEMBL4857184)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2N2CCOC2=O)n1
PDB

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n/an/a 0.220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552521
PNG
(WO2022098809, Example 4-8)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2C(F)(F)F)n1
PDB

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n/an/a 0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569662
PNG
(CHEMBL4874375)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(C)(C)C)n1
PDB

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n/an/a 0.260n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569656
PNG
(CHEMBL4871382)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(NC2CCCC2)n1
PDB

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n/an/a 0.290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552516
PNG
(WO2022098809, Example 4-3 | WO2022098809, Example ...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(C)cccc2F)n1
PDB

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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569675
PNG
(CHEMBL4859773)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2CO)n1
PDB

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n/an/a 0.460n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569658
PNG
(CHEMBL4851277)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2F)n1
PDB

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n/an/a 0.590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569670
PNG
(CHEMBL4868682)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C2CCCOC2)n1
PDB

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n/an/a 0.690n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552551
PNG
(2-((6-Methoxy-2-methyl-1,2,3,4-tetrahydroisoquinol...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2)n1
PDB

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n/an/a 0.880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569678
PNG
(CHEMBL4878650)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(c(Nc2ccccc2)n1)C(F)(F)F
PDB

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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569677
PNG
(CHEMBL4860928)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C)c(Nc2ccccc2)n1
PDB

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n/an/a 7.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569674
PNG
(CHEMBL4873991)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(C)cccc2Br)n1
PDB

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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569673
PNG
(CHEMBL4856183)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2C(C)(C)O)n1
PDB

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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552515
PNG
(WO2022098809, Example 4-2)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(C)cccc2C)n1
PDB

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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569667
PNG
(CHEMBL4848845)
Show SMILES CO[C@@H](C)c1ccccc1Nc1nc(Nc2cc3CN(C)CCc3cc2OC)ncc1C(N)=O |r|
PDB

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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 in human PBMC assessed as inhibition of SLP76 phosphorylation incubated for 1 hr by ELISA


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569676
PNG
(CHEMBL4868527)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1nccc(Nc2ccccc2)n1
PDB

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n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50569672
PNG
(CHEMBL4865305)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2CO)n1
PDB

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n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 in human PBMC assessed as inhibition of SLP76 phosphorylation incubated for 1 hr by ELISA


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552521
PNG
(WO2022098809, Example 4-8)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2C(F)(F)F)n1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 453n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 in human PBMC assessed as inhibition of SLP76 phosphorylation incubated for 1 hr by ELISA


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552551
PNG
(2-((6-Methoxy-2-methyl-1,2,3,4-tetrahydroisoquinol...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2ccccc2)n1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 517n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 in human PBMC assessed as inhibition of SLP76 phosphorylation incubated for 1 hr by ELISA


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)