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BDBM198352 US9216999, 153::US9556187, Example 153

SMILES: Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1

InChI Key: InChIKey=BULOXFFZTGAOCJ-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 198352   
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 JAK2


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
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n/an/a 2.30n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
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n/an/a 15n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
PDB

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n/an/a 1n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
PDB

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US Patent
n/an/a 330n/an/an/an/an/a25



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2BG2R1V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
PDB

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n/an/a 2.30n/an/an/an/an/a25



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2BG2R1V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
PDB

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n/an/a 15n/an/an/an/an/a25



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2BG2R1V
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 110n/an/an/an/an/a25



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2BG2R1V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM198352
PNG
(US9216999, 153 | US9556187, Example 153)
Show SMILES Brc1ncc(CN2CCC(CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C16H16BrN7S/c17-16-19-7-11(25-16)8-23-5-2-10(3-6-23)13-14-12-1-4-18-15(12)20-9-24(14)22-21-13/h1,4,7,9-10,18H,2-3,5-6,8H2
PDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a 1n/an/an/an/an/a25



Nissan Chemical Industries, Ltd

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2BG2R1V
More data for this
Ligand-Target Pair