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SMILES: CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 539141   
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 JAK2


(Homo sapiens (Human))
BDBM539141
PNG
(US11254669, Example 1-37)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.0400n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM539141
PNG
(US11254669, Example 1-37)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM539141
PNG
(US11254669, Example 1-37)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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


TBA



Citation and Details
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM539141
PNG
(US11254669, Example 1-37)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.26n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair