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BDBM113132 US8633206, 50

SMILES: CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)c2nc(CS(C)(=O)=O)no2)CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=NNKUEGVONPVITQ-SAABIXHNNA-N

Data: 3 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 3 hits for monomerid = 113132   
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 JAK3


(Homo sapiens (Human))
BDBM113132
PNG
(US8633206, 50)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)c2nc(CS(C)(=O)=O)no2)CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C23H33N7O5S2/c1-29(22-19-7-10-24-21(19)25-15-26-22)18-5-3-16(4-6-18)13-37(33,34)30-11-8-17(9-12-30)23-27-20(28-35-23)14-36(2,31)32/h7,10,15-18H,3-6,8-9,11-14H2,1-2H3,(H,24,25,26)/t16-,18-
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 581n/an/an/an/a7.4n/a



Pfizer Inc

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)


BindingDB Entry DOI: 10.7270/Q2ZS2V44
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM113132
PNG
(US8633206, 50)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)c2nc(CS(C)(=O)=O)no2)CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C23H33N7O5S2/c1-29(22-19-7-10-24-21(19)25-15-26-22)18-5-3-16(4-6-18)13-37(33,34)30-11-8-17(9-12-30)23-27-20(28-35-23)14-36(2,31)32/h7,10,15-18H,3-6,8-9,11-14H2,1-2H3,(H,24,25,26)/t16-,18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.33n/an/an/an/a7.4n/a



Pfizer Inc

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)


BindingDB Entry DOI: 10.7270/Q2ZS2V44
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM113132
PNG
(US8633206, 50)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCC(CC2)c2nc(CS(C)(=O)=O)no2)CC1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C23H33N7O5S2/c1-29(22-19-7-10-24-21(19)25-15-26-22)18-5-3-16(4-6-18)13-37(33,34)30-11-8-17(9-12-30)23-27-20(28-35-23)14-36(2,31)32/h7,10,15-18H,3-6,8-9,11-14H2,1-2H3,(H,24,25,26)/t16-,18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 65.8n/an/an/an/a7.4n/a



Pfizer Inc

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)


BindingDB Entry DOI: 10.7270/Q2ZS2V44
More data for this
Ligand-Target Pair