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SMILES: CC1CC2(C1)CN(C2)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1

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 3 hits for monomerid = 514837   
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))
BDBM514837
PNG
(US11098041, Example 61)
Show SMILES CC1CC2(C1)CN(C2)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1Q3P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM514837
PNG
(US11098041, Example 61)
Show SMILES CC1CC2(C1)CN(C2)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
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 28n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2021.116163
BindingDB Entry DOI: 10.7270/Q2K35ZF7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK [328-659]


(Homo sapiens (Human))
BDBM514837
PNG
(US11098041, Example 61)
Show SMILES CC1CC2(C1)CN(C2)C(=O)NCc1ccc(cc1F)-c1ccnc2[nH]c(nc12)-c1cnn(C)c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZW1Q3P
More data for this
Ligand-Target Pair