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SMILES: COc1ccc(CN2CCC(CC2)Nc2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1

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 5 hits for monomerid = 625341   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM625341
PNG
(US20230322769, Compound 21)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 45n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [V804M]


(Homo sapiens (Human))
BDBM625341
PNG
(US20230322769, Compound 21)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 188n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM625341
PNG
(US20230322769, Compound 21)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 109n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM625341
PNG
(US20230322769, Compound 21)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 60.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret [M918T]


(Homo sapiens (Human))
BDBM625341
PNG
(US20230322769, Compound 21)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2ccc(cn2)-c2cc(cn3ncc(C#N)c23)-c2cnn(C)c2)cn1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair