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PubMed code 22559926

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50388620
PNG
(CHEMBL2058538)
Show SMILES CC(C)n1nc(C#Cc2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-7,10-11H,1-2H3,(H2,17,18,19)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of RET by commercial radiometric assay


J Med Chem 55: 4872-6 (2012)


Article DOI: 10.1021/jm3003944
BindingDB Entry DOI: 10.7270/Q2NK3G3N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50388621
PNG
(CHEMBL2058539)
Show SMILES CC(C)n1nc(C#Cc2ccc(F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H14FN5/c1-10(2)22-16-14(15(18)19-9-20-16)13(21-22)8-5-11-3-6-12(17)7-4-11/h3-4,6-7,9-10H,1-2H3,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of RET by commercial radiometric assay


J Med Chem 55: 4872-6 (2012)


Article DOI: 10.1021/jm3003944
BindingDB Entry DOI: 10.7270/Q2NK3G3N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50388624
PNG
(CHEMBL2058543)
Show SMILES CC(C)n1nc(\C=C\c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C16H17N5/c1-11(2)21-16-14(15(17)18-10-19-16)13(20-21)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,17,18,19)/b9-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of RET by commercial radiometric assay


J Med Chem 55: 4872-6 (2012)


Article DOI: 10.1021/jm3003944
BindingDB Entry DOI: 10.7270/Q2NK3G3N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50388625
PNG
(CHEMBL2058542)
Show SMILES CC(C)n1nc(C#Cc2cc(C)ccc2C)c2c(N)ncnc12
Show InChI InChI=1S/C18H19N5/c1-11(2)23-18-16(17(19)20-10-21-18)15(22-23)8-7-14-9-12(3)5-6-13(14)4/h5-6,9-11H,1-4H3,(H2,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of RET by commercial radiometric assay


J Med Chem 55: 4872-6 (2012)


Article DOI: 10.1021/jm3003944
BindingDB Entry DOI: 10.7270/Q2NK3G3N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50388622
PNG
(CHEMBL2058540)
Show SMILES CC(C)n1nc(C#Cc2cccc(N)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6/c1-10(2)22-16-14(15(18)19-9-20-16)13(21-22)7-6-11-4-3-5-12(17)8-11/h3-5,8-10H,17H2,1-2H3,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of RET by commercial radiometric assay


J Med Chem 55: 4872-6 (2012)


Article DOI: 10.1021/jm3003944
BindingDB Entry DOI: 10.7270/Q2NK3G3N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50388623
PNG
(CHEMBL2058541)
Show SMILES CC(C)n1nc(C#Cc2ccccc2N)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6/c1-10(2)22-16-14(15(18)19-9-20-16)13(21-22)8-7-11-5-3-4-6-12(11)17/h3-6,9-10H,17H2,1-2H3,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 195n/an/an/an/an/an/a



University of Gothenburg

Curated by ChEMBL


Assay Description
Inhibition of RET by commercial radiometric assay


J Med Chem 55: 4872-6 (2012)


Article DOI: 10.1021/jm3003944
BindingDB Entry DOI: 10.7270/Q2NK3G3N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%