BindingDB logo
myBDB logout

BDBM330972 US9725445, 3-153

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

InChI Key: InChIKey=AINQFKKDZHLZCA-BEFAXECRSA-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 = 330972   
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))
BDBM330972
PNG
(US9725445, 3-153)
Show SMILES CC(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C24H26N6O2/c1-14(2)29-13-16-11-17(7-8-18(16)24(29)32)27-22-21-20(9-10-26-23(21)31)30(28-22)19-6-4-3-5-15(19)12-25/h7-11,14-15,19H,3-6,13H2,1-2H3,(H,26,31)(H,27,28)/t15-,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 360n/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))
BDBM330972
PNG
(US9725445, 3-153)
Show SMILES CC(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C24H26N6O2/c1-14(2)29-13-16-11-17(7-8-18(16)24(29)32)27-22-21-20(9-10-26-23(21)31)30(28-22)19-6-4-3-5-15(19)12-25/h7-11,14-15,19H,3-6,13H2,1-2H3,(H,26,31)(H,27,28)/t15-,19+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 57n/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