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BDBM202503 US9527851, example 121

SMILES: CCc1nsc(OC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1

InChI Key: InChIKey=KSFCBPMWSBGBTM-ITGUQSILNA-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 = 202503   
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))
BDBM202503
PNG
(US9527851, example 121)
Show SMILES CCc1nsc(OC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1
Show InChI InChI=1/C19H23N7O2S/c1-3-15-23-18(29-24-15)28-19(27)26-8-11-6-13(7-12(11)9-26)25(2)17-14-4-5-20-16(14)21-10-22-17/h4-5,10-13H,3,6-9H2,1-2H3,(H,20,21,22)/t11-,12+,13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 31n/an/an/an/a7.325



Jiangsu Hengrui Medicine 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))
BDBM202503
PNG
(US9527851, example 121)
Show SMILES CCc1nsc(OC(=O)N2C[C@@H]3C[C@H](C[C@@H]3C2)N(C)c2ncnc3[nH]ccc23)n1
Show InChI InChI=1/C19H23N7O2S/c1-3-15-23-18(29-24-15)28-19(27)26-8-11-6-13(7-12(11)9-26)25(2)17-14-4-5-20-16(14)21-10-22-17/h4-5,10-13H,3,6-9H2,1-2H3,(H,20,21,22)/t11-,12+,13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.325



Jiangsu Hengrui Medicine 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