BindingDB logo
myBDB logout

BDBM264185 (2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl)amino]-5- fluoropyrimidin-4-yl}- 1H-indol-7-yl)-2- (4-ethylpiperazin-1- yl)propanamide::US9714236, 8

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

InChI Key: InChIKey=ILENBJYJIMEMLK-QGZVFWFLSA-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 = 264185   
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))
BDBM264185
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(CC)CC3)cccc12
Show InChI InChI=1S/C27H34FN9O2/c1-5-36-10-12-37(13-11-36)17(3)25(38)31-21-9-7-8-18-19(14-29-24(18)21)23-20(28)15-30-27(33-23)32-22-16-35(4)34-26(22)39-6-2/h7-9,14-17,29H,5-6,10-13H2,1-4H3,(H,31,38)(H,30,32,33)/t17-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 110n/an/an/an/a7.3n/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))
BDBM264185
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(CC)CC3)cccc12
Show InChI InChI=1S/C27H34FN9O2/c1-5-36-10-12-37(13-11-36)17(3)25(38)31-21-9-7-8-18-19(14-29-24(18)21)23-20(28)15-30-27(33-23)32-22-16-35(4)34-26(22)39-6-2/h7-9,14-17,29H,5-6,10-13H2,1-4H3,(H,31,38)(H,30,32,33)/t17-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>3.00E+4n/an/an/an/a7.3n/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))
BDBM264185
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(CC)CC3)cccc12
Show InChI InChI=1S/C27H34FN9O2/c1-5-36-10-12-37(13-11-36)17(3)25(38)31-21-9-7-8-18-19(14-29-24(18)21)23-20(28)15-30-27(33-23)32-22-16-35(4)34-26(22)39-6-2/h7-9,14-17,29H,5-6,10-13H2,1-4H3,(H,31,38)(H,30,32,33)/t17-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.36E+4n/an/an/an/a7.3n/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