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BDBM228713 US10369153, Compound 60::US9346810, 60

SMILES: CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(nn1)C#N

InChI Key: InChIKey=INNQJNLPVHXGCK-GFCCVEGCSA-N

Data: 4 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 4 hits for monomerid = 228713   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM228713
PNG
(US10369153, Compound 60 | US9346810, 60)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(nn1)C#N
Show InChI InChI=1S/C16H16N8/c1-23(14-3-2-11(8-17)21-22-14)12-5-7-24(9-12)16-13-4-6-18-15(13)19-10-20-16/h2-4,6,10,12H,5,7,9H2,1H3,(H,18,19,20)/t12-/m1/s1
PDB
MMDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0550n/an/an/an/an/a25



Hutchison MediPharma Limited

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


US Patent US9346810 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9Q0X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM228713
PNG
(US10369153, Compound 60 | US9346810, 60)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(nn1)C#N
Show InChI InChI=1S/C16H16N8/c1-23(14-3-2-11(8-17)21-22-14)12-5-7-24(9-12)16-13-4-6-18-15(13)19-10-20-16/h2-4,6,10,12H,5,7,9H2,1H3,(H,18,19,20)/t12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10369153 (2019)


BindingDB Entry DOI: 10.7270/Q27W6FJK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM228713
PNG
(US10369153, Compound 60 | US9346810, 60)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(nn1)C#N
Show InChI InChI=1S/C16H16N8/c1-23(14-3-2-11(8-17)21-22-14)12-5-7-24(9-12)16-13-4-6-18-15(13)19-10-20-16/h2-4,6,10,12H,5,7,9H2,1H3,(H,18,19,20)/t12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10369153 (2019)


BindingDB Entry DOI: 10.7270/Q27W6FJK
More data for this
Ligand-Target Pair
JAK3 (aa 781-1124)


(Homo sapiens (Human))
BDBM228713
PNG
(US10369153, Compound 60 | US9346810, 60)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(nn1)C#N
Show InChI InChI=1S/C16H16N8/c1-23(14-3-2-11(8-17)21-22-14)12-5-7-24(9-12)16-13-4-6-18-15(13)19-10-20-16/h2-4,6,10,12H,5,7,9H2,1H3,(H,18,19,20)/t12-/m1/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/an/an/an/an/a25



Hutchison MediPharma Limited

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


US Patent US9346810 (2016)


BindingDB Entry DOI: 10.7270/Q2XG9Q0X
More data for this
Ligand-Target Pair