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BDBM50243840 CHEMBL4085264

SMILES: CCN(C)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12

InChI Key: InChIKey=KWMGFSZGEORFBE-PHIMTYICSA-N

Data: 5 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 5 hits for monomerid = 50243840   
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))
BDBM50243840
PNG
(CHEMBL4085264)
Show SMILES CCN(C)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H22N6O2S/c1-4-19(2)23(21,22)18-10-7-11(8-10)20(3)14-12-5-6-15-13(12)16-9-17-14/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,15,16,17)/t10-,11+
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PC cid
PC sid
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Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50243840
PNG
(CHEMBL4085264)
Show SMILES CCN(C)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H22N6O2S/c1-4-19(2)23(21,22)18-10-7-11(8-10)20(3)14-12-5-6-15-13(12)16-9-17-14/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,15,16,17)/t10-,11+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50243840
PNG
(CHEMBL4085264)
Show SMILES CCN(C)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H22N6O2S/c1-4-19(2)23(21,22)18-10-7-11(8-10)20(3)14-12-5-6-15-13(12)16-9-17-14/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,15,16,17)/t10-,11+
PDB

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 848n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human JAK2 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50243840
PNG
(CHEMBL4085264)
Show SMILES CCN(C)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H22N6O2S/c1-4-19(2)23(21,22)18-10-7-11(8-10)20(3)14-12-5-6-15-13(12)16-9-17-14/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,15,16,17)/t10-,11+
PDB

Reactome pathway
KEGG

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PubMed
n/an/a 5.35E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in CD34+ human whole blood assessed as reduction in EOP induced STAT5 phosphorylation preincubated for 45 mins followed by EOP add...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
More data for this
Ligand-Target Pair
JAK1/TYK2


(Homo sapiens (Human))
BDBM50243840
PNG
(CHEMBL4085264)
Show SMILES CCN(C)S(=O)(=O)N[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H22N6O2S/c1-4-19(2)23(21,22)18-10-7-11(8-10)20(3)14-12-5-6-15-13(12)16-9-17-14/h5-6,9-11,18H,4,7-8H2,1-3H3,(H,15,16,17)/t10-,11+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 207n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN...


J Med Chem 61: 1130-1152 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01598
More data for this
Ligand-Target Pair