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BDBM264219 (2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl)amino]-5- fluoropyrimidin-4-yl}- 1H-indol-7-yl)-2- (4-methylpiperazin-1- yl)propanamide::US9714236, 39

SMILES: CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12

InChI Key: InChIKey=HYIDYFLOPVNQFJ-MRXNPFEDSA-N

Data: 3 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 3 hits for monomerid = 264219   
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
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264219
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H32FN9O2/c1-5-38-25-21(15-35(4)33-25)31-26-29-14-19(27)22(32-26)18-13-28-23-17(18)7-6-8-20(23)30-24(37)16(2)36-11-9-34(3)10-12-36/h6-8,13-16,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t16-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 55n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264219
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H32FN9O2/c1-5-38-25-21(15-35(4)33-25)31-26-29-14-19(27)22(32-26)18-13-28-23-17(18)7-6-8-20(23)30-24(37)16(2)36-11-9-34(3)10-12-36/h6-8,13-16,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t16-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>3.00E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264219
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C26H32FN9O2/c1-5-38-25-21(15-35(4)33-25)31-26-29-14-19(27)22(32-26)18-13-28-23-17(18)7-6-8-20(23)30-24(37)16(2)36-11-9-34(3)10-12-36/h6-8,13-16,28H,5,9-12H2,1-4H3,(H,30,37)(H,29,31,32)/t16-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.55E+4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US9714236 (2017)

More data for this
Ligand-Target Pair