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SMILES: CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12

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 3 hits for monomerid = 50575347   
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
Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50575347
PNG
(CHEMBL4855562)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;35.68,-16.47,;35.2,-15.01,;33.69,-14.69,;33.2,-13.23,;32.66,-15.85,;33.15,-17.31,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.90E+3n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50575347
PNG
(CHEMBL4855562)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;35.68,-16.47,;35.2,-15.01,;33.69,-14.69,;33.2,-13.23,;32.66,-15.85,;33.15,-17.31,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9n/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))
BDBM50575347
PNG
(CHEMBL4855562)
Show SMILES CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 |r,wU:11.14,9.9,(30.61,-31.29,;32.11,-30.97,;33.14,-32.11,;32.59,-29.5,;31.56,-28.36,;32.03,-26.9,;33.54,-26.58,;34.57,-27.71,;34.09,-29.18,;34.01,-25.11,;33.3,-23.74,;34.67,-23.04,;35.38,-24.41,;35.14,-21.56,;34.23,-20.32,;35.13,-19.07,;34.65,-17.62,;35.68,-16.47,;35.2,-15.01,;33.69,-14.69,;33.2,-13.23,;32.66,-15.85,;33.15,-17.31,;36.59,-19.54,;37.93,-18.77,;37.92,-17.23,;39.27,-19.53,;39.27,-21.08,;37.93,-21.85,;36.6,-21.08,)|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair