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SMILES: CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc(nc5[nH]ncc45)-c4cccnc4)c3)cc2C(F)(F)F)CC1

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 6 hits for monomerid = 50556136   
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))
BDBM50556136
PNG
(CHEMBL4790634)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc(nc5[nH]ncc45)-c4cccnc4)c3)cc2C(F)(F)F)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant wild-type human N-terminal GST-HIS6 fused RET C-terminal domain (H658 to S1114 residues) expressed in Sf9 insect cells usin...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112755
BindingDB Entry DOI: 10.7270/Q2J96B20
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50556136
PNG
(CHEMBL4790634)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc(nc5[nH]ncc45)-c4cccnc4)c3)cc2C(F)(F)F)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-HIS6 fused RET M918T mutant C-terminal domain (H658 to S1114 residues) expressed in Sf9 insect cells u...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112755
BindingDB Entry DOI: 10.7270/Q2J96B20
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50556136
PNG
(CHEMBL4790634)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc(nc5[nH]ncc45)-c4cccnc4)c3)cc2C(F)(F)F)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KIF5B-RET fusion protein (unknown origin) by radiometric assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112755
BindingDB Entry DOI: 10.7270/Q2J96B20
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50556136
PNG
(CHEMBL4790634)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc(nc5[nH]ncc45)-c4cccnc4)c3)cc2C(F)(F)F)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-HIS6 fused RET V804M mutant C-terminal domain (H658 to S1114 residues) expressed in Sf9 insect cells u...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112755
BindingDB Entry DOI: 10.7270/Q2J96B20
More data for this
Ligand-Target Pair
Coiled-coil domain-containing protein 6


(Homo sapiens (Human))
BDBM50556136
PNG
(CHEMBL4790634)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc(nc5[nH]ncc45)-c4cccnc4)c3)cc2C(F)(F)F)CC1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST-HIS6 fused CCDC6-RET fusion protein (Met1 to Ser503 residues) expressed in Sf9 insect cells using TRK-C-derived pe...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112755
BindingDB Entry DOI: 10.7270/Q2J96B20
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50556136
PNG
(CHEMBL4790634)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc(nc5[nH]ncc45)-c4cccnc4)c3)cc2C(F)(F)F)CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal GST-HIS6 fused RET V804L mutant C-terminal domain (H658 to S1114 residues) expressed in Sf9 insect cells u...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112755
BindingDB Entry DOI: 10.7270/Q2J96B20
More data for this
Ligand-Target Pair