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SMILES: CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1

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 14 hits for monomerid = 621117   
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
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.700n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.0740n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [D835H]


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.160n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [D835V]


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.0340n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [572-603]


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 1.60n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.180n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 [D835V]


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.0170n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3 [F691L]


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.0560n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K663Q]


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 1.5n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [N841I]


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.240n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [R834Q]


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.330n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (D835Y)


(Homo sapiens (Human))
BDBM621117
PNG
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)
Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/a 0.100n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair