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SMILES: OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CC[C@@H](CC1)NC(=O)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 3 hits for monomerid = 515798   
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
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM515798
PNG
(US11053225, Compound 100)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:23.25,26.32,(1.73,-9.37,;.83,-8.12,;1.45,-6.72,;.55,-5.47,;1.02,-4.01,;-.22,-3.1,;-1.47,-4.01,;-.99,-5.47,;-.22,-1.56,;-1.56,-.79,;-1.56,.75,;-.22,1.52,;-.22,3.06,;-1.56,3.83,;-1.56,5.37,;-2.89,6.14,;-4.22,5.37,;-4.22,3.83,;-5.56,3.06,;-2.89,3.06,;1.11,.75,;1.11,-.79,;2.45,-1.56,;3.78,-.79,;3.78,.75,;5.11,1.52,;6.45,.75,;6.45,-.79,;5.11,-1.56,;7.78,1.52,;9.11,.75,;9.11,-.79,;10.45,1.52,;11.78,2.29,;11.22,.19,;9.68,2.85,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM515798
PNG
(US11053225, Compound 100)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:23.25,26.32,(1.73,-9.37,;.83,-8.12,;1.45,-6.72,;.55,-5.47,;1.02,-4.01,;-.22,-3.1,;-1.47,-4.01,;-.99,-5.47,;-.22,-1.56,;-1.56,-.79,;-1.56,.75,;-.22,1.52,;-.22,3.06,;-1.56,3.83,;-1.56,5.37,;-2.89,6.14,;-4.22,5.37,;-4.22,3.83,;-5.56,3.06,;-2.89,3.06,;1.11,.75,;1.11,-.79,;2.45,-1.56,;3.78,-.79,;3.78,.75,;5.11,1.52,;6.45,.75,;6.45,-.79,;5.11,-1.56,;7.78,1.52,;9.11,.75,;9.11,-.79,;10.45,1.52,;11.78,2.29,;11.22,.19,;9.68,2.85,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.910n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM515798
PNG
(US11053225, Compound 100)
Show SMILES OCCn1cc(cn1)-c1cnc(Nc2cccc(Cl)c2)nc1N[C@@H]1CC[C@@H](CC1)NC(=O)C(F)(F)F |r,wD:23.25,26.32,(1.73,-9.37,;.83,-8.12,;1.45,-6.72,;.55,-5.47,;1.02,-4.01,;-.22,-3.1,;-1.47,-4.01,;-.99,-5.47,;-.22,-1.56,;-1.56,-.79,;-1.56,.75,;-.22,1.52,;-.22,3.06,;-1.56,3.83,;-1.56,5.37,;-2.89,6.14,;-4.22,5.37,;-4.22,3.83,;-5.56,3.06,;-2.89,3.06,;1.11,.75,;1.11,-.79,;2.45,-1.56,;3.78,-.79,;3.78,.75,;5.11,1.52,;6.45,.75,;6.45,-.79,;5.11,-1.56,;7.78,1.52,;9.11,.75,;9.11,-.79,;10.45,1.52,;11.78,2.29,;11.22,.19,;9.68,2.85,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair