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SMILES: CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C

InChI Key: InChIKey=OZVOMRZGKVHABF-UHFFFAOYSA-N

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 8 hits for monomerid = 475635   
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 JAK3


(Homo sapiens (Human))
BDBM475635
PNG
(US10851102, Example 28 | US11339160, Ex No. 28)
Show SMILES CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C22H23N3O3/c1-4-21(27)24-12-17(13-24)22(2,3)28-20-9-16(11-25-14-23-10-19(20)25)15-5-7-18(26)8-6-15/h4-11,14,17,26H,1,12-13H2,2-3H3
PDB

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<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))
BDBM475635
PNG
(US10851102, Example 28 | US11339160, Ex No. 28)
Show SMILES CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C22H23N3O3/c1-4-21(27)24-12-17(13-24)22(2,3)28-20-9-16(11-25-14-23-10-19(20)25)15-5-7-18(26)8-6-15/h4-11,14,17,26H,1,12-13H2,2-3H3
PDB

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US Patent
<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent




US Patent US10851102 (2020)

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


(Homo sapiens (Human))
BDBM475635
PNG
(US10851102, Example 28 | US11339160, Ex No. 28)
Show SMILES CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C22H23N3O3/c1-4-21(27)24-12-17(13-24)22(2,3)28-20-9-16(11-25-14-23-10-19(20)25)15-5-7-18(26)8-6-15/h4-11,14,17,26H,1,12-13H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>100n/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))
BDBM475635
PNG
(US10851102, Example 28 | US11339160, Ex No. 28)
Show SMILES CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C22H23N3O3/c1-4-21(27)24-12-17(13-24)22(2,3)28-20-9-16(11-25-14-23-10-19(20)25)15-5-7-18(26)8-6-15/h4-11,14,17,26H,1,12-13H2,2-3H3
PDB

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antibodypedia
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PC cid
PC sid
UniChem
>100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM475635
PNG
(US10851102, Example 28 | US11339160, Ex No. 28)
Show SMILES CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C22H23N3O3/c1-4-21(27)24-12-17(13-24)22(2,3)28-20-9-16(11-25-14-23-10-19(20)25)15-5-7-18(26)8-6-15/h4-11,14,17,26H,1,12-13H2,2-3H3
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
>100n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM475635
PNG
(US10851102, Example 28 | US11339160, Ex No. 28)
Show SMILES CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C22H23N3O3/c1-4-21(27)24-12-17(13-24)22(2,3)28-20-9-16(11-25-14-23-10-19(20)25)15-5-7-18(26)8-6-15/h4-11,14,17,26H,1,12-13H2,2-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent




US Patent US10851102 (2020)

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


(Homo sapiens (Human))
BDBM475635
PNG
(US10851102, Example 28 | US11339160, Ex No. 28)
Show SMILES CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C22H23N3O3/c1-4-21(27)24-12-17(13-24)22(2,3)28-20-9-16(11-25-14-23-10-19(20)25)15-5-7-18(26)8-6-15/h4-11,14,17,26H,1,12-13H2,2-3H3
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
>100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10851102 (2020)

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


(Homo sapiens (Human))
BDBM475635
PNG
(US10851102, Example 28 | US11339160, Ex No. 28)
Show SMILES CC(C)(Oc1cc(cn2cncc12)-c1ccc(O)cc1)C1CN(C1)C(=O)C=C
Show InChI InChI=1S/C22H23N3O3/c1-4-21(27)24-12-17(13-24)22(2,3)28-20-9-16(11-25-14-23-10-19(20)25)15-5-7-18(26)8-6-15/h4-11,14,17,26H,1,12-13H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent




US Patent US10851102 (2020)

More data for this
Ligand-Target Pair