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SMILES: CNC(=O)[C@H]1Cc2c(CN1C(=O)C[C@H]1CCCN(C1)C(=O)C=C)[nH]c1ccccc21

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50568218   
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 BTK


(Homo sapiens (Human))
BDBM50568218
PNG
(CHEMBL4859382)
Show SMILES CNC(=O)[C@H]1Cc2c(CN1C(=O)C[C@H]1CCCN(C1)C(=O)C=C)[nH]c1ccccc21 |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>5.92E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK C481S mutant expressed in baculovirus infected in Sf9 cells incubated for 1 hr by TR-FRET a...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116223
BindingDB Entry DOI: 10.7270/Q2M04964
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50568218
PNG
(CHEMBL4859382)
Show SMILES CNC(=O)[C@H]1Cc2c(CN1C(=O)C[C@H]1CCCN(C1)C(=O)C=C)[nH]c1ccccc21 |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 4.76E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected in Sf9 cells incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116223
BindingDB Entry DOI: 10.7270/Q2M04964
More data for this
Ligand-Target Pair