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BDBM264207 (2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-methoxy-1- methyl-1H-pyrazol- 4-yl)amino]pyrimidin- 4-yl}-1H-indol- 7-yl)propanamide::US10167276, Example 28::US9714236, 28

SMILES: CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1

InChI Key: InChIKey=UTJJGQVRHBFDFT-QGZVFWFLSA-N

Data: 6 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 6 hits for monomerid = 264207   
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))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 106n/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))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 106n/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 (aa 808-1132)


(Homo sapiens (Human))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.18E+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))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.18E+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))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
PDB

GoogleScholar
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))
BDBM264207
PNG
((2R)-2-(4- ethylpiperidin-1-yl)-N-(3- {2-[(3-metho...)
Show SMILES CCN1CCN(CC1)[C@H](C)C(=O)Nc1cccc2c(c[nH]c12)-c1ccnc(Nc2cn(C)nc2OC)n1
Show InChI InChI=1S/C26H33N9O2/c1-5-34-11-13-35(14-12-34)17(2)24(36)29-21-8-6-7-18-19(15-28-23(18)21)20-9-10-27-26(30-20)31-22-16-33(3)32-25(22)37-4/h6-10,15-17,28H,5,11-14H2,1-4H3,(H,29,36)(H,27,30,31)/t17-/m1/s1
PDB

GoogleScholar
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