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BDBM331075 US9725445, 15-20

SMILES: CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O

InChI Key: InChIKey=AMQXWQZKGXOBRL-BEFAXECRSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 331075   
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))
BDBM331075
PNG
(US9725445, 15-20)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C25H28N6O2/c1-25(2,3)30-14-16-12-17(8-9-18(16)24(30)33)28-22-21-20(10-11-27-23(21)32)31(29-22)19-7-5-4-6-15(19)13-26/h8-12,15,19H,4-7,14H2,1-3H3,(H,27,32)(H,28,29)/t15-,19+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 480n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331075
PNG
(US9725445, 15-20)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C25H28N6O2/c1-25(2,3)30-14-16-12-17(8-9-18(16)24(30)33)28-22-21-20(10-11-27-23(21)32)31(29-22)19-7-5-4-6-15(19)13-26/h8-12,15,19H,4-7,14H2,1-3H3,(H,27,32)(H,28,29)/t15-,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

More data for this
Ligand-Target Pair