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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 255020   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM255020
PNG
(US9475813, 25)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC2CC2)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1/C22H28F3N5O/c23-22(24,25)12-26-9-14-3-5-16(6-4-14)30-13-29(11-15-1-2-15)21(31)18-10-28-20-17(19(18)30)7-8-27-20/h7-8,10,14-16,26H,1-6,9,11-13H2,(H,27,28)/t14-,16-
PDB

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PC cid
PC sid
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n/an/a 5.20n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


US Patent US9475813 (2016)


BindingDB Entry DOI: 10.7270/Q2PC31BN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM255020
PNG
(US9475813, 25)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC2CC2)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1/C22H28F3N5O/c23-22(24,25)12-26-9-14-3-5-16(6-4-14)30-13-29(11-15-1-2-15)21(31)18-10-28-20-17(19(18)30)7-8-27-20/h7-8,10,14-16,26H,1-6,9,11-13H2,(H,27,28)/t14-,16-
PDB

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PC cid
PC sid
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US Patent
n/an/a 27n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


US Patent US9475813 (2016)


BindingDB Entry DOI: 10.7270/Q2PC31BN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM255020
PNG
(US9475813, 25)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC2CC2)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1/C22H28F3N5O/c23-22(24,25)12-26-9-14-3-5-16(6-4-14)30-13-29(11-15-1-2-15)21(31)18-10-28-20-17(19(18)30)7-8-27-20/h7-8,10,14-16,26H,1-6,9,11-13H2,(H,27,28)/t14-,16-
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 43n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


US Patent US9475813 (2016)


BindingDB Entry DOI: 10.7270/Q2PC31BN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM255020
PNG
(US9475813, 25)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC2CC2)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1/C22H28F3N5O/c23-22(24,25)12-26-9-14-3-5-16(6-4-14)30-13-29(11-15-1-2-15)21(31)18-10-28-20-17(19(18)30)7-8-27-20/h7-8,10,14-16,26H,1-6,9,11-13H2,(H,27,28)/t14-,16-
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 290n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


US Patent US9475813 (2016)


BindingDB Entry DOI: 10.7270/Q2PC31BN
More data for this
Ligand-Target Pair