BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 503.5
BDBM264208

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
JAK1 (866-1154)


(Homo sapiens (human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 97n/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
JAK1 (aa866-1154)


(Homo sapiens (Human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 97n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)

More data for this
Ligand-Target Pair
JAK2 (aa808-1132)


(Homo sapiens (Human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.04E+4n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)

More data for this
Ligand-Target Pair
JAK2 (831-1132)


(Homo sapiens (human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.04E+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
JAK3 (aa811-1124)


(Homo sapiens (Human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+4n/an/an/an/an/an/a



Dizal (Jiangsu) Pharmaceutical Co., Ltd.

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 US10167276 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM264208
PNG
((2R)-2-[(2R)-2,4- dimethylpiperazin-1- yl]-N-(3-{2...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)C[C@H]3C)cccc12
Show InChI InChI=1S/C26H33N9O2/c1-16-14-33(3)11-12-35(16)17(2)24(36)29-21-8-6-7-18-19(13-28-23(18)21)20-9-10-27-26(30-20)31-22-15-34(4)32-25(22)37-5/h6-10,13,15-17,28H,11-12,14H2,1-5H3,(H,29,36)(H,27,30,31)/t16-,17-/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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