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BDBM264182 (2R)-2-[(2R)-3,4- dimethylpiperazin-1- yl]-N-(3-{5-fluoro-2- [(3-methoxy-1- methyl-1H-pyrazol-4- yl)amino]pyrimidin- 4-yl}-1H-indol-7- yl)propanamide::US9714236, 6

SMILES: COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12

InChI Key: InChIKey=VJGQEUWSPCHZCM-HZPDHXFCSA-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 = 264182   
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))
BDBM264182
PNG
((2R)-2-[(2R)-3,4- dimethylpiperazin-1- yl]-N-(3-{5...)
Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H32FN9O2/c1-15-13-34(3)9-10-36(15)16(2)24(37)30-20-8-6-7-17-18(11-28-23(17)20)22-19(27)12-29-26(32-22)31-21-14-35(4)33-25(21)38-5/h6-8,11-12,14-16,28H,9-10,13H2,1-5H3,(H,30,37)(H,29,31,32)/t15-,16-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 30n/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))
BDBM264182
PNG
((2R)-2-[(2R)-3,4- dimethylpiperazin-1- yl]-N-(3-{5...)
Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H32FN9O2/c1-15-13-34(3)9-10-36(15)16(2)24(37)30-20-8-6-7-17-18(11-28-23(17)20)22-19(27)12-29-26(32-22)31-21-14-35(4)33-25(21)38-5/h6-8,11-12,14-16,28H,9-10,13H2,1-5H3,(H,30,37)(H,29,31,32)/t15-,16-/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))
BDBM264182
PNG
((2R)-2-[(2R)-3,4- dimethylpiperazin-1- yl]-N-(3-{5...)
Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H32FN9O2/c1-15-13-34(3)9-10-36(15)16(2)24(37)30-20-8-6-7-17-18(11-28-23(17)20)22-19(27)12-29-26(32-22)31-21-14-35(4)33-25(21)38-5/h6-8,11-12,14-16,28H,9-10,13H2,1-5H3,(H,30,37)(H,29,31,32)/t15-,16-/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9.62E+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