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SMILES: CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCCC1

InChI Key: InChIKey=WULROJCEUFDOMA-OAHLLOKOSA-N

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 2 hits for monomerid = 228703   
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))
BDBM228703
PNG
(US10369153, Compound 247 | US9346810, 247)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H25N7O2S/c1-25(18-5-4-16(12-22-18)30(28,29)27-9-2-3-10-27)15-7-11-26(13-15)20-17-6-8-21-19(17)23-14-24-20/h4-6,8,12,14-15H,2-3,7,9-11,13H2,1H3,(H,21,23,24)/t15-/m1/s1
PDB

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UniProtKB/SwissProt

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AffyNet 
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
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM228703
PNG
(US10369153, Compound 247 | US9346810, 247)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H25N7O2S/c1-25(18-5-4-16(12-22-18)30(28,29)27-9-2-3-10-27)15-7-11-26(13-15)20-17-6-8-21-19(17)23-14-24-20/h4-6,8,12,14-15H,2-3,7,9-11,13H2,1H3,(H,21,23,24)/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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