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BDBM264244 (2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl)amino]-5- methylpyrimidin-4-yl}- 1H-indol-7-yl)-3-methoxy- 2-(4-methylpiperazin-1- yl)propanamide::US9714236, 64

SMILES: CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12

InChI Key: InChIKey=YBBYFCSBODLGRP-HSZRJFAPSA-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 = 264244   
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))
BDBM264244
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C28H37N9O3/c1-6-40-28-22(16-36(4)34-28)31-24-15-29-18(2)25(33-24)20-14-30-26-19(20)8-7-9-21(26)32-27(38)23(17-39-5)37-12-10-35(3)11-13-37/h7-9,14-16,23,30H,6,10-13,17H2,1-5H3,(H,31,33)(H,32,38)/t23-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<5n/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))
BDBM264244
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C28H37N9O3/c1-6-40-28-22(16-36(4)34-28)31-24-15-29-18(2)25(33-24)20-14-30-26-19(20)8-7-9-21(26)32-27(38)23(17-39-5)37-12-10-35(3)11-13-37/h7-9,14-16,23,30H,6,10-13,17H2,1-5H3,(H,31,33)(H,32,38)/t23-/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))
BDBM264244
PNG
((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...)
Show SMILES CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12
Show InChI InChI=1S/C28H37N9O3/c1-6-40-28-22(16-36(4)34-28)31-24-15-29-18(2)25(33-24)20-14-30-26-19(20)8-7-9-21(26)32-27(38)23(17-39-5)37-12-10-35(3)11-13-37/h7-9,14-16,23,30H,6,10-13,17H2,1-5H3,(H,31,33)(H,32,38)/t23-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.04E+3n/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