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

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 = 621142   
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))
BDBM621142
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/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))
BDBM621142
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |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))
BDBM621142
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<0.5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM621142
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.800n/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))
BDBM621142
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.600n/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))
BDBM621142
PNG
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)
Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<0.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair