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SMILES: CC(C)n1cc(cn1)-c1nc(Nc2ccc3N(CCc3c2)C(=O)CN2CCS(=O)(=O)CC2)ncc1C

InChI Key:

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 = 50572374   
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50572374
PNG
(CHEMBL4862108)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3N(CCc3c2)C(=O)CN2CCS(=O)(=O)CC2)ncc1C
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TYK2 (875 to end residues) using GGMEDIYFEFMGG as substrate incubated for 40 mins in presence of [gamma33P]ATP by sci...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01468
BindingDB Entry DOI: 10.7270/Q23N2750
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50572374
PNG
(CHEMBL4862108)
Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc3N(CCc3c2)C(=O)CN2CCS(=O)(=O)CC2)ncc1C
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK2 (808 to end residues) KTFCGTPEYLAPE as substrate measured after 40 mins in presence of [gamm33P]ATP by scintilla...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01468
BindingDB Entry DOI: 10.7270/Q23N2750
More data for this
Ligand-Target Pair