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BDBM185700 US9161939, 1a::US9271981, 1a

SMILES: CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12

InChI Key: InChIKey=HJWLJNBZVZDLAQ-HAQNSBGRSA-N

Data: 8 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 8 hits for monomerid = 185700   
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))
BDBM185700
PNG
(US9161939, 1a | US9271981, 1a)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
PDB

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Similars

n/an/a 9.53n/an/an/an/an/an/a



Zoetis Services LLC

US Patent


Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...


US Patent US9161939 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZF7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM185700
PNG
(US9161939, 1a | US9271981, 1a)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
PDB

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PC cid
PC sid
UniChem

Similars

n/an/a 17.5n/an/an/an/an/an/a



Zoetis Services LLC

US Patent


Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...


US Patent US9161939 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZF7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM185700
PNG
(US9161939, 1a | US9271981, 1a)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

n/an/a 95.1n/an/an/an/an/an/a



Zoetis Services LLC

US Patent


Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...


US Patent US9161939 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZF7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM185700
PNG
(US9161939, 1a | US9271981, 1a)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
PDB

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 75.1n/an/an/an/an/an/a



Zoetis Services LLC

US Patent


Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...


US Patent US9271981 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6X90
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM185700
PNG
(US9161939, 1a | US9271981, 1a)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
PDB

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 9.53n/an/an/an/an/an/a



Zoetis Services LLC

US Patent


Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...


US Patent US9271981 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6X90
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM185700
PNG
(US9161939, 1a | US9271981, 1a)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
PDB

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 17.5n/an/an/an/an/an/a



Zoetis Services LLC

US Patent


Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...


US Patent US9271981 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6X90
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM185700
PNG
(US9161939, 1a | US9271981, 1a)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
PDB

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 95.1n/an/an/an/an/an/a



Zoetis Services LLC

US Patent


Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...


US Patent US9271981 (2016)


BindingDB Entry DOI: 10.7270/Q2VD6X90
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM185700
PNG
(US9161939, 1a | US9271981, 1a)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19)/t11-,12-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 75.1n/an/an/an/an/an/a



Zoetis Services LLC

US Patent


Assay Description
Methods: A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK-2 and JAK-3) or the IRS-1 peptide (JAK-1 and Tyk...


US Patent US9161939 (2015)


BindingDB Entry DOI: 10.7270/Q2CC0ZF7
More data for this
Ligand-Target Pair