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SMILES: COCc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1

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 = 604293   
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 ITK/TSK


(Homo sapiens (Human))
BDBM604293
PNG
(US11661419, Example 42 | US20230280220, Example 42)
Show SMILES COCc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 38n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2J96BBK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM604293
PNG
(US11661419, Example 42 | US20230280220, Example 42)
Show SMILES COCc1cc(cc2nc([nH]c12)-c1n[nH]c2C[C@@]3(C)C[C@H]3Cc12)N(C)C(=O)[C@H](C)N1CCOCC1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 38n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2M049K2
More data for this
Ligand-Target Pair