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SMILES: CN1CCc2cc(ccc2[C@@H](C1)NC(=O)c1cn(nn1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1

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 = 50583951   
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
Early activation antigen CD69


(Homo sapiens)
BDBM50583951
PNG
(CHEMBL5073995)
Show SMILES CN1CCc2cc(ccc2[C@@H](C1)NC(=O)c1cn(nn1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CD69 in human whole blood preincubated for 30 mins followed by anti-human IgD stimulation and measured after 18 to 22 hrs by flow cytom...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00926
BindingDB Entry DOI: 10.7270/Q23B641C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50583951
PNG
(CHEMBL5073995)
Show SMILES CN1CCc2cc(ccc2[C@@H](C1)NC(=O)c1cn(nn1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00926
BindingDB Entry DOI: 10.7270/Q23B641C
More data for this
Ligand-Target Pair