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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
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
5
hits for monomerid = 50604189
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Bifunctional epoxide hydrolase 2
(Mus musculus (Mouse))
BDBM50604189
(CHEMBL5200047)
Show SMILES
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02150
BindingDB Entry DOI:
10.7270/Q2F76HMM
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Mus musculus (mouse))
BDBM50604189
(CHEMBL5200047)
Show SMILES
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02150
BindingDB Entry DOI:
10.7270/Q2F76HMM
More data for this
Ligand-Target Pair
Cholinesterase
(Homo sapiens (Human))
BDBM50604189
(CHEMBL5200047)
Show SMILES
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
416
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02150
BindingDB Entry DOI:
10.7270/Q2F76HMM
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Homo sapiens (Human))
BDBM50604189
(CHEMBL5200047)
Show SMILES
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.70
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02150
BindingDB Entry DOI:
10.7270/Q2F76HMM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2
(Homo sapiens (Human))
BDBM50604189
(CHEMBL5200047)
Show SMILES
FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)CCCNc2c3CCCCc3nc3cc(Cl)ccc23)cc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02150
BindingDB Entry DOI:
10.7270/Q2F76HMM
More data for this
Ligand-Target Pair
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