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BDBM264212 (2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-yl)amino] pyrimidin-4- yl}-1H-indol-7-yl)-2-(4- methylpiperazin-1- yl)propanamide::US10167276, Example 32::US10654835, Example 32::US9714236, 32

SMILES: COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12

InChI Key:

Data: 16 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 264212   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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n/an/a 73n/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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair
JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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n/an/a 73n/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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
JAK2 (aa 808-1132)


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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n/an/a>1.47E+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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
JAK3 (aa 811-1124)


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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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)


BindingDB Entry DOI: 10.7270/Q20R9RG0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 (aa 866-1154)


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
PDB
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n/an/a 73n/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 acid...


US Patent US10654835 (2020)

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


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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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 acid...


US Patent US10654835 (2020)

More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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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 acid...


US Patent US10654835 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
More data for this
Ligand-Target Pair
Cytochrome P450 4B1


(Homo sapiens)
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Cytochrome P450


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA


J Med Chem 63: 4517-4527 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01392
More data for this
Ligand-Target Pair
JAK2 (aa 831-1132)


(Homo sapiens (Human))
BDBM264212
PNG
((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...)
Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12
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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)


BindingDB Entry DOI: 10.7270/Q2VQ34PC
More data for this
Ligand-Target Pair