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BDBM264195 (2R)-2-(4-ethylpiperazin- 1-yl)-N-(3- {2-[(3-methoxy-1- methyl-1H-pyrazol-4-yl) amino]-5- methylpyrimidin-4-yl}- 1H-indol-7-yl)propanamide::US9714236, 16

SMILES: CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C

InChI Key: InChIKey=XIIWOYZDVNCFNA-GOSISDBHSA-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 = 264195   
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))
BDBM264195
PNG
((2R)-2-(4-ethylpiperazin- 1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O2/c1-6-35-10-12-36(13-11-35)18(3)25(37)30-21-9-7-8-19-20(15-28-24(19)21)23-17(2)14-29-27(32-23)31-22-16-34(4)33-26(22)38-5/h7-9,14-16,18,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t18-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 19n/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))
BDBM264195
PNG
((2R)-2-(4-ethylpiperazin- 1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O2/c1-6-35-10-12-36(13-11-35)18(3)25(37)30-21-9-7-8-19-20(15-28-24(19)21)23-17(2)14-29-27(32-23)31-22-16-34(4)33-26(22)38-5/h7-9,14-16,18,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t18-/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))
BDBM264195
PNG
((2R)-2-(4-ethylpiperazin- 1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cn(C)nc2OC)ncc1C
Show InChI InChI=1S/C27H35N9O2/c1-6-35-10-12-36(13-11-35)18(3)25(37)30-21-9-7-8-19-20(15-28-24(19)21)23-17(2)14-29-27(32-23)31-22-16-34(4)33-26(22)38-5/h7-9,14-16,18,28H,6,10-13H2,1-5H3,(H,30,37)(H,29,31,32)/t18-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.24E+3n/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