BindingDB logo
myBDB logout

BDBM264193 (2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2-[(3-methoxy- 1-methyl-1H- pyrazol-4-yl)amino]-5- methylpyrimidin-4-yl}- 1H-indol-7-yl)propanamide::US9714236, 14

SMILES: COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12

InChI Key: InChIKey=UKPORPWVWHZWTG-ZWKOTPCHSA-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 = 264193   
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))
BDBM264193
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-16-12-29-27(31-22-15-35(5)33-26(22)38-6)32-23(16)20-13-28-24-19(20)8-7-9-21(24)30-25(37)18(3)36-11-10-34(4)17(2)14-36/h7-9,12-13,15,17-18,28H,10-11,14H2,1-6H3,(H,30,37)(H,29,31,32)/t17-,18+/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9n/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))
BDBM264193
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-16-12-29-27(31-22-15-35(5)33-26(22)38-6)32-23(16)20-13-28-24-19(20)8-7-9-21(24)30-25(37)18(3)36-11-10-34(4)17(2)14-36/h7-9,12-13,15,17-18,28H,10-11,14H2,1-6H3,(H,30,37)(H,29,31,32)/t17-,18+/m0/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))
BDBM264193
PNG
((2R)-2-[(3S)-3,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)[C@@H](C)C3)cccc12
Show InChI InChI=1S/C27H35N9O2/c1-16-12-29-27(31-22-15-35(5)33-26(22)38-6)32-23(16)20-13-28-24-19(20)8-7-9-21(24)30-25(37)18(3)36-11-10-34(4)17(2)14-36/h7-9,12-13,15,17-18,28H,10-11,14H2,1-6H3,(H,30,37)(H,29,31,32)/t17-,18+/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.39E+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