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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET' and Ligand = 'BDBM50399535'   
Target
(Institution)
LigandTarget
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
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens (Human))
BDBM50399535
PNG
(CHEMBL2180602)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC\C2=C1\C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Nanjing University of Technology

Curated by ChEMBL


Assay Description
Inhibition of RET (unknown origin)


Bioorg Med Chem Lett 23: 5630-3 (2013)

More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens (Human))
BDBM50399535
PNG
(CHEMBL2180602)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCC\C2=C1\C(=O)Nc2ccc(F)cc12
Show InChI InChI=1S/C24H29FN4O2/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31)/b21-17-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 55: 10797-822 (2012)

More data for this
Ligand-Target Pair