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SMILES: CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F

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 = 50570460   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
3.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.09E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Mus musculus (Mouse))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.57E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50570460
PNG
(CHEMBL4854629)
Show SMILES CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair