BindingDB logo
myBDB logout

BDBM50243842 CHEMBL4066404

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

InChI Key: InChIKey=WGAJDNFRQOWUQD-OKILXGFUSA-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 = 50243842   
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))
BDBM50243842
PNG
(CHEMBL4066404)
Show SMILES CCCCN(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H27N5O2S/c1-4-5-8-21(2)25(23,24)11-13-9-14(10-13)22(3)17-15-6-7-18-16(15)19-12-20-17/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,19,20)/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/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))
BDBM50243842
PNG
(CHEMBL4066404)
Show SMILES CCCCN(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H27N5O2S/c1-4-5-8-21(2)25(23,24)11-13-9-14(10-13)22(3)17-15-6-7-18-16(15)19-12-20-17/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,19,20)/t13-,14+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50243842
PNG
(CHEMBL4066404)
Show SMILES CCCCN(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H27N5O2S/c1-4-5-8-21(2)25(23,24)11-13-9-14(10-13)22(3)17-15-6-7-18-16(15)19-12-20-17/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,19,20)/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 888n/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))
BDBM50243842
PNG
(CHEMBL4066404)
Show SMILES CCCCN(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H27N5O2S/c1-4-5-8-21(2)25(23,24)11-13-9-14(10-13)22(3)17-15-6-7-18-16(15)19-12-20-17/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,19,20)/t13-,14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/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))
BDBM50243842
PNG
(CHEMBL4066404)
Show SMILES CCCCN(C)S(=O)(=O)C[C@H]1C[C@H](C1)N(C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H27N5O2S/c1-4-5-8-21(2)25(23,24)11-13-9-14(10-13)22(3)17-15-6-7-18-16(15)19-12-20-17/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,18,19,20)/t13-,14+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 645n/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