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SMILES: OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 466493   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM466493
PNG
(US10799507, Example 159 | [1-(Hydroxymethyl)Cyclop...)
Show SMILES OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.5n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed JAK1, 2, 3 and TYK2 were purchased from Carna Biosciences, Inc. All four purified enzymes contain only the catalytic doma...


US Patent US10799507 (2020)


BindingDB Entry DOI: 10.7270/Q2VM4GBC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM466493
PNG
(US10799507, Example 159 | [1-(Hydroxymethyl)Cyclop...)
Show SMILES OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1 |r|
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.10n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed JAK1, 2, 3 and TYK2 were purchased from Carna Biosciences, Inc. All four purified enzymes contain only the catalytic doma...


US Patent US10799507 (2020)


BindingDB Entry DOI: 10.7270/Q2VM4GBC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM466493
PNG
(US10799507, Example 159 | [1-(Hydroxymethyl)Cyclop...)
Show SMILES OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 3.10n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed JAK1, 2, 3 and TYK2 were purchased from Carna Biosciences, Inc. All four purified enzymes contain only the catalytic doma...


US Patent US10799507 (2020)


BindingDB Entry DOI: 10.7270/Q2VM4GBC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM466493
PNG
(US10799507, Example 159 | [1-(Hydroxymethyl)Cyclop...)
Show SMILES OCC1(COC(=O)[C@H]2CCN(CC22CC2)c2ncnc3[nH]ccc23)CCCC1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.30n/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human baculovirus-expressed JAK1, 2, 3 and TYK2 were purchased from Carna Biosciences, Inc. All four purified enzymes contain only the catalytic doma...


US Patent US10799507 (2020)


BindingDB Entry DOI: 10.7270/Q2VM4GBC
More data for this
Ligand-Target Pair