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SMILES: Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC#N)n2)n[nH]1

InChI Key:

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 4 hits for monomerid = 277549   
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))
BDBM277549
PNG
(US10072026, Example 5-11)
Show SMILES Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC#N)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
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<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 (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277549
PNG
(US10072026, Example 5-11)
Show SMILES Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC#N)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.550n/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 (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM277549
PNG
(US10072026, Example 5-11)
Show SMILES Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC#N)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.550n/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 (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM277549
PNG
(US10072026, Example 5-11)
Show SMILES Cc1cc(Nc2cc3nc(CO)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CC#N)n2)n[nH]1 |r,TLB:25:24:21.20:17.23.18|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.550n/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 (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair