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BDBM202320 1-((4as,7ar)-6-(methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino)hexahydro-1h-cyclopenta[c]pyridin-2(3h,4h,4ah,5h,6h,7h,7ah)-yl)ethanone::US9527851, example 35

SMILES: CN(Cc1ccccc1)C1C[C@H]2CCN(C[C@H]2C1)C(=O)OC(C)(C)C

InChI Key: InChIKey=UFVUDSYXEFXWFK-PWCSWUJKSA-N

Data: 2 IC50

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 2 hits for monomerid = 202320   
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))
BDBM202320
PNG
(1-((4as,7ar)-6-(methyl(7h-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES CN(Cc1ccccc1)C1C[C@H]2CCN(C[C@H]2C1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)23-11-10-17-12-19(13-18(17)15-23)22(4)14-16-8-6-5-7-9-16/h5-9,17-19H,10-15H2,1-4H3/t17-,18-,19?/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK2 kinase. The test ...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM202320
PNG
(1-((4as,7ar)-6-(methyl(7h-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES CN(Cc1ccccc1)C1C[C@H]2CCN(C[C@H]2C1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)23-11-10-17-12-19(13-18(17)15-23)22(4)14-16-8-6-5-7-9-16/h5-9,17-19H,10-15H2,1-4H3/t17-,18-,19?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.325



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
TBDIn vitro kinase assays described below can be used to determine the activity of a test compound for inhibiting the activity of JAK1 kinase. The te...


US Patent US9527851 (2016)


BindingDB Entry DOI: 10.7270/Q2D21VRM
More data for this
Ligand-Target Pair