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SMILES: CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1

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 = 50558109   
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))
BDBM50558109
PNG
(CHEMBL4764215)
Show SMILES CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 19n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50558109
PNG
(CHEMBL4764215)
Show SMILES CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.410n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair