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BDBM331118 US9725445, 15-63

SMILES: CC1(CCOCC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O

InChI Key: InChIKey=JZCKKPDNCNCXLJ-UTKZUKDTSA-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 = 331118   
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))
BDBM331118
PNG
(US9725445, 15-63)
Show SMILES CC1(CCOCC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C27H30N6O3/c1-27(9-12-36-13-10-27)32-16-18-14-19(6-7-20(18)26(32)35)30-24-23-22(8-11-29-25(23)34)33(31-24)21-5-3-2-4-17(21)15-28/h6-8,11,14,17,21H,2-5,9-10,12-13,16H2,1H3,(H,29,34)(H,30,31)/t17-,21+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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))
BDBM331118
PNG
(US9725445, 15-63)
Show SMILES CC1(CCOCC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C27H30N6O3/c1-27(9-12-36-13-10-27)32-16-18-14-19(6-7-20(18)26(32)35)30-24-23-22(8-11-29-25(23)34)33(31-24)21-5-3-2-4-17(21)15-28/h6-8,11,14,17,21H,2-5,9-10,12-13,16H2,1H3,(H,29,34)(H,30,31)/t17-,21+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 62n/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