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BDBM264194 (2R)-2-[4-(2- hydroxyethyl)piperazin- 1-yl]-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-yl) amino]-5-methylpyrimidin- 4-yl}-1H-indol-7- yl)propanamide::US9714236, 15

SMILES: COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCO)CC3)cccc12

InChI Key: InChIKey=MCNSBCBQEPCLBT-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 = 264194   
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))
BDBM264194
PNG
((2R)-2-[4-(2- hydroxyethyl)piperazin- 1-yl]-N-(3-{...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCO)CC3)cccc12
Show InChI InChI=1S/C27H35N9O3/c1-17-14-29-27(31-22-16-34(3)33-26(22)39-4)32-23(17)20-15-28-24-19(20)6-5-7-21(24)30-25(38)18(2)36-10-8-35(9-11-36)12-13-37/h5-7,14-16,18,28,37H,8-13H2,1-4H3,(H,30,38)(H,29,31,32)/t18-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7n/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))
BDBM264194
PNG
((2R)-2-[4-(2- hydroxyethyl)piperazin- 1-yl]-N-(3-{...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCO)CC3)cccc12
Show InChI InChI=1S/C27H35N9O3/c1-17-14-29-27(31-22-16-34(3)33-26(22)39-4)32-23(17)20-15-28-24-19(20)6-5-7-21(24)30-25(38)18(2)36-10-8-35(9-11-36)12-13-37/h5-7,14-16,18,28,37H,8-13H2,1-4H3,(H,30,38)(H,29,31,32)/t18-/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))
BDBM264194
PNG
((2R)-2-[4-(2- hydroxyethyl)piperazin- 1-yl]-N-(3-{...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(CCO)CC3)cccc12
Show InChI InChI=1S/C27H35N9O3/c1-17-14-29-27(31-22-16-34(3)33-26(22)39-4)32-23(17)20-15-28-24-19(20)6-5-7-21(24)30-25(38)18(2)36-10-8-35(9-11-36)12-13-37/h5-7,14-16,18,28,37H,8-13H2,1-4H3,(H,30,38)(H,29,31,32)/t18-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.53E+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