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BDBM246861 3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [4-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)- 1H-pyrazol-1- yl]propanenitrile::US10053465, 3::US10065963, Compound 3::US10125150, Example 3::US9732097, Example 3

SMILES: Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12

InChI Key: InChIKey=UHPOZFYNJIMRCT-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 246861   
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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The compounds in Table A were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analy...


US Patent US10125150 (2018)


Article DOI: 10.1021/jm0308904
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US9708333 (2017)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2KD20XW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<100n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US9708333 (2017)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2KD20XW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US9708333 (2017)


Article DOI: 10.1021/jm050175p
BindingDB Entry DOI: 10.7270/Q2KD20XW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
In some embodiments, the additional pharmaceutical agent is a JAK1 and/or JAK2 inhibitor. In some embodiments, the present application provides a met...


US Patent US10077277 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
The kinase reaction was conducted in clear-bottom 96-well plate from Thermo Fisher Scientific in a final volume of 24 μL. Inhibitors were first ...


US Patent US9732097 (2017)


Article DOI: 10.1021/jm960871c
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<100n/an/an/an/a7.825



Incyte Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...


US Patent US10065963 (2018)


Article DOI: 10.1021/jm9802259
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<10n/an/an/an/an/an/a



Incyte Corporation

US Patent


Assay Description
As used herein, a selective JAK1 inhibitor is an inhibitor of JAK1 which is selective for JAK1 over JAK2, JAK3 and TYK2. In some embodiments, the com...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<500n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<500n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a 2.00E+3n/an/an/an/an/a25



Incyte Corporation

US Patent


Assay Description
The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...


US Patent US10053465 (2018)


BindingDB Entry DOI: 10.7270/Q2B27X98
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM246861
PNG
(3-[1-(6- chloropyridin-2- yl)pyrrolidin-3-yl]-3- [...)
Show SMILES Clc1cccc(n1)N1CCC(C1)C(CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C21H19ClN8/c22-18-2-1-3-19(28-18)29-9-6-14(11-29)17(4-7-23)30-12-15(10-27-30)20-16-5-8-24-21(16)26-13-25-20/h1-3,5,8,10,12-14,17H,4,6,9,11H2,(H,24,25,26)
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n/an/a<100n/an/an/an/a6.725



Incyte Corporation

US Patent


Assay Description
[γ-33P]ATP (10 mCi/mL) was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...


US Patent US10077277 (2018)

More data for this
Ligand-Target Pair