BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM292106'   
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))
BDBM292106
PNG
(US10100049, Example 3 | US10526330, Example 3 | US...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...


US Patent US10100049 (2018)


BindingDB Entry DOI: 10.7270/Q27M09Z8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292106
PNG
(US10100049, Example 3 | US10526330, Example 3 | US...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10526330 (2020)


BindingDB Entry DOI: 10.7270/Q2TF00RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292106
PNG
(US10100049, Example 3 | US10526330, Example 3 | US...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10526330 (2020)


BindingDB Entry DOI: 10.7270/Q2TF00RD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292106
PNG
(US10100049, Example 3 | US10526330, Example 3 | US...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
<0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q29027WQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292106
PNG
(US10100049, Example 3 | US10526330, Example 3 | US...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10913740 (2021)


BindingDB Entry DOI: 10.7270/Q21Z47J5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292106
PNG
(US10100049, Example 3 | US10526330, Example 3 | US...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a


TBA

Assay Description
All of the compounds of Examples 1 to 16 and Tables 1 to 19 were tested in one or more of the assays described above. In the following tables, for th...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2T156V0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM292106
PNG
(US10100049, Example 3 | US10526330, Example 3 | US...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H31FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10913740 (2021)


BindingDB Entry DOI: 10.7270/Q21Z47J5
More data for this
Ligand-Target Pair