BDBM424361 US10508120, Compound I-816::US10508120, Compound I-908::US10577373, Compound I-908::US11046698, Compound I-816::US11414431, Compound I-264

SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nc2c(cnn12)C(=O)N[C@@H]1CC[C@H]1OC

InChI Key InChIKey=BWINBHTTZLVXGT-NVXWUHKLSA-N

Data  1 IC50  12 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 424361   

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshimi

US Patent

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd: <0.200nMAssay Description:Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshimi

US Patent

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd: <0.200nMAssay Description:Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshimi

US Patent

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd: <0.200nMAssay Description:Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshimi

US Patent

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd: <0.200nMAssay Description:Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshimi

US Patent

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd: <0.200nMAssay Description:Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshimi

US Patent

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd: <0.200nMAssay Description:Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
China Pharmaceutical University

Curated by ChEMBL

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataIC50: <500nMAssay Description:Inhibition of JAK2/TYK2 signal transduction pathway in human PBMC cells assessed as IL-12 induced p-STAT4 level incubated for 30 minsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Yale University

Curated by ChEMBL

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd:  0.00300nMAssay Description:Binding affinity to TYK2 JH2 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

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

TargetTyrosine-protein kinase JAK1(Human)
Yale University

Curated by ChEMBL

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd:  5.00E+3nMAssay Description:Binding affinity to JAK1 JH2 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Yale University

Curated by ChEMBL

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd:  0.00400nMAssay Description:Binding affinity to human wild-type partial length TYK2 JH2 (G556 to D888 residues) expressed in mammalian expression system by KINOMEscan assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

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

TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Yale University

Curated by ChEMBL

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd: <200nMAssay Description:Binding affinity to human wild-type partial length TYK2 JH2 (G556 to D888 residues) expressed in mammalian expression system by KINOMEscan assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

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

TargetTyrosine-protein kinase JAK1(Human)
Yale University

Curated by ChEMBL

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd:  5.00E+3nMAssay Description:Binding affinity to JAK1 JH2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshimi

US Patent

LigandBDBM424361(US10508120, Compound I-816 | US10508120, Compound ...)Copy SMILESCopy InChI

Affinity DataKd: <0.200nMAssay Description:The binding reaction was assembled by combining 16 μl of DNA-tagged kinase extract, 3.8 μl liganded affinity beads, and 0.18 μl test c...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDB

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL