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BDBM198541 US9216999, 338::US9556187, Example 338

SMILES: FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1

InChI Key: InChIKey=JPYANSWYOLYAQE-HAQNSBGRNA-N

Data: 8 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 8 hits for monomerid = 198541   
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))
BDBM198541
PNG
(US9216999, 338 | US9556187, Example 338)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1
Show InChI InChI=1/C17H21FN6/c18-13-8-23(9-13)7-11-1-3-12(4-2-11)15-16-14-5-6-19-17(14)20-10-24(16)22-21-15/h5-6,10-13,19H,1-4,7-9H2/t11-,12-
PDB

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PC cid
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n/an/a 60n/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))
BDBM198541
PNG
(US9216999, 338 | US9556187, Example 338)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1
Show InChI InChI=1/C17H21FN6/c18-13-8-23(9-13)7-11-1-3-12(4-2-11)15-16-14-5-6-19-17(14)20-10-24(16)22-21-15/h5-6,10-13,19H,1-4,7-9H2/t11-,12-
PDB

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n/an/a 480n/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))
BDBM198541
PNG
(US9216999, 338 | US9556187, Example 338)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1
Show InChI InChI=1/C17H21FN6/c18-13-8-23(9-13)7-11-1-3-12(4-2-11)15-16-14-5-6-19-17(14)20-10-24(16)22-21-15/h5-6,10-13,19H,1-4,7-9H2/t11-,12-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 590n/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))
BDBM198541
PNG
(US9216999, 338 | US9556187, Example 338)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1
Show InChI InChI=1/C17H21FN6/c18-13-8-23(9-13)7-11-1-3-12(4-2-11)15-16-14-5-6-19-17(14)20-10-24(16)22-21-15/h5-6,10-13,19H,1-4,7-9H2/t11-,12-
PDB

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US Patent
n/an/a 590n/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))
BDBM198541
PNG
(US9216999, 338 | US9556187, Example 338)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1
Show InChI InChI=1/C17H21FN6/c18-13-8-23(9-13)7-11-1-3-12(4-2-11)15-16-14-5-6-19-17(14)20-10-24(16)22-21-15/h5-6,10-13,19H,1-4,7-9H2/t11-,12-
PDB

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PC sid
UniChem
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US Patent
n/an/a 6.90n/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))
BDBM198541
PNG
(US9216999, 338 | US9556187, Example 338)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1
Show InChI InChI=1/C17H21FN6/c18-13-8-23(9-13)7-11-1-3-12(4-2-11)15-16-14-5-6-19-17(14)20-10-24(16)22-21-15/h5-6,10-13,19H,1-4,7-9H2/t11-,12-
PDB

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PC cid
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UniChem
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US Patent
n/an/a 60n/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))
BDBM198541
PNG
(US9216999, 338 | US9556187, Example 338)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1
Show InChI InChI=1/C17H21FN6/c18-13-8-23(9-13)7-11-1-3-12(4-2-11)15-16-14-5-6-19-17(14)20-10-24(16)22-21-15/h5-6,10-13,19H,1-4,7-9H2/t11-,12-
PDB

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PC sid
UniChem
Article
US Patent
n/an/a 480n/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))
BDBM198541
PNG
(US9216999, 338 | US9556187, Example 338)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)C1
Show InChI InChI=1/C17H21FN6/c18-13-8-23(9-13)7-11-1-3-12(4-2-11)15-16-14-5-6-19-17(14)20-10-24(16)22-21-15/h5-6,10-13,19H,1-4,7-9H2/t11-,12-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.90n/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