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BDBM380449 4-{3-(Cyanomethyl)-3-[3-(hydroxymethyl)-3′-methyl-1H,1′H-4,4′-bipyrazol-1-yl]azetidin-1-yl}-2,5-difluoro-N-[(1S)-2,2,2-trifluoro-1-methylethyl]benzamide::US10435392, Example 13::US9926301, Example 13

SMILES: C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F

InChI Key:

Data: 4 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 4 hits for monomerid = 380449   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
JAK1 (aa 837-1142)


(Homo sapiens (Human))
BDBM380449
PNG
(4-{3-(Cyanomethyl)-3-[3-(hydroxymethyl)-3′-m...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<300n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US9926301 (2018)


BindingDB Entry DOI: 10.7270/Q2VM4FK3
More data for this
Ligand-Target Pair
JAK2 (aa 828-1132)


(Homo sapiens (Human))
BDBM380449
PNG
(4-{3-(Cyanomethyl)-3-[3-(hydroxymethyl)-3′-m...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US10435392 (2019)


BindingDB Entry DOI: 10.7270/Q2D50QB7
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))
BDBM380449
PNG
(4-{3-(Cyanomethyl)-3-[3-(hydroxymethyl)-3′-m...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<300n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US10435392 (2019)


BindingDB Entry DOI: 10.7270/Q2D50QB7
More data for this
Ligand-Target Pair
JAK2 (aa 828-1132)


(Homo sapiens (Human))
BDBM380449
PNG
(4-{3-(Cyanomethyl)-3-[3-(hydroxymethyl)-3′-m...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>700n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US9926301 (2018)


BindingDB Entry DOI: 10.7270/Q2VM4FK3
More data for this
Ligand-Target Pair