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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Amyloid-beta precursor protein' and Ligand = 'BDBM50598552'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598552
PNG
(CHEMBL5186511)
Show SMILES CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-]3(OC(=O)C(=O)O3)O2)cc1 |c:23,t:9|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.20n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598552
PNG
(CHEMBL5186511)
Show SMILES CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-]3(OC(=O)C(=O)O3)O2)cc1 |c:23,t:9|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 38n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50598552
PNG
(CHEMBL5186511)
Show SMILES CN(C)c1ccc(\C=C\C2=CC(\C=C\c3ccc(cc3)N(C)C)=[O+][B-]3(OC(=O)C(=O)O3)O2)cc1 |c:23,t:9|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.80n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01619
BindingDB Entry DOI: 10.7270/Q2X92GCK
More data for this
Ligand-Target Pair