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BDBM198627 US9216999, 420::US9556187, Example 420

SMILES: FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12

InChI Key: InChIKey=RFBHCAPWFBMMIB-XYPYZODXNA-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 = 198627   
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))
BDBM198627
PNG
(US9216999, 420 | US9556187, Example 420)
Show SMILES FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1/C16H19F3N6O2S/c17-16(18,19)8-22-28(26,27)7-10-1-3-11(4-2-10)13-14-12-5-6-20-15(12)21-9-25(14)24-23-13/h5-6,9-11,20,22H,1-4,7-8H2/t10-,11-
PDB

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PC cid
PC sid
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n/an/a 5.70n/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 JAK2


(Homo sapiens (Human))
BDBM198627
PNG
(US9216999, 420 | US9556187, Example 420)
Show SMILES FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1/C16H19F3N6O2S/c17-16(18,19)8-22-28(26,27)7-10-1-3-11(4-2-10)13-14-12-5-6-20-15(12)21-9-25(14)24-23-13/h5-6,9-11,20,22H,1-4,7-8H2/t10-,11-
PDB

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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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM198627
PNG
(US9216999, 420 | US9556187, Example 420)
Show SMILES FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1/C16H19F3N6O2S/c17-16(18,19)8-22-28(26,27)7-10-1-3-11(4-2-10)13-14-12-5-6-20-15(12)21-9-25(14)24-23-13/h5-6,9-11,20,22H,1-4,7-8H2/t10-,11-
PDB

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n/an/a 410n/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))
BDBM198627
PNG
(US9216999, 420 | US9556187, Example 420)
Show SMILES FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1/C16H19F3N6O2S/c17-16(18,19)8-22-28(26,27)7-10-1-3-11(4-2-10)13-14-12-5-6-20-15(12)21-9-25(14)24-23-13/h5-6,9-11,20,22H,1-4,7-8H2/t10-,11-
PDB

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n/an/a 300n/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))
BDBM198627
PNG
(US9216999, 420 | US9556187, Example 420)
Show SMILES FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1/C16H19F3N6O2S/c17-16(18,19)8-22-28(26,27)7-10-1-3-11(4-2-10)13-14-12-5-6-20-15(12)21-9-25(14)24-23-13/h5-6,9-11,20,22H,1-4,7-8H2/t10-,11-
PDB

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PC cid
PC sid
UniChem
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US Patent
n/an/a 5.70n/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))
BDBM198627
PNG
(US9216999, 420 | US9556187, Example 420)
Show SMILES FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1/C16H19F3N6O2S/c17-16(18,19)8-22-28(26,27)7-10-1-3-11(4-2-10)13-14-12-5-6-20-15(12)21-9-25(14)24-23-13/h5-6,9-11,20,22H,1-4,7-8H2/t10-,11-
PDB

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PC sid
UniChem
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US Patent
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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM198627
PNG
(US9216999, 420 | US9556187, Example 420)
Show SMILES FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1/C16H19F3N6O2S/c17-16(18,19)8-22-28(26,27)7-10-1-3-11(4-2-10)13-14-12-5-6-20-15(12)21-9-25(14)24-23-13/h5-6,9-11,20,22H,1-4,7-8H2/t10-,11-
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 410n/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))
BDBM198627
PNG
(US9216999, 420 | US9556187, Example 420)
Show SMILES FC(F)(F)CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1/C16H19F3N6O2S/c17-16(18,19)8-22-28(26,27)7-10-1-3-11(4-2-10)13-14-12-5-6-20-15(12)21-9-25(14)24-23-13/h5-6,9-11,20,22H,1-4,7-8H2/t10-,11-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/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