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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Ki
IC50
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null
SMILES:
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
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 = 50593147
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
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig))
BDBM50593147
(CHEMBL5203777)
Show SMILES
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
24
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01003
BindingDB Entry DOI:
10.7270/Q2J38XKF
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B
(Homo sapiens (Human))
BDBM50593147
(CHEMBL5203777)
Show SMILES
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
213
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01003
BindingDB Entry DOI:
10.7270/Q2J38XKF
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2
(Rattus norvegicus (Rat))
BDBM50593147
(CHEMBL5203777)
Show SMILES
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
233
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01003
BindingDB Entry DOI:
10.7270/Q2J38XKF
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Homo sapiens (Human))
BDBM50593147
(CHEMBL5203777)
Show SMILES
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.09E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01003
BindingDB Entry DOI:
10.7270/Q2J38XKF
More data for this
Ligand-Target Pair
Cholinesterase
(Homo sapiens (Human))
BDBM50593147
(CHEMBL5203777)
Show SMILES
Cc1cccc2sc(NC(=O)CCN3CCN(CC3)C3CCCCC3)nc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.19E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01003
BindingDB Entry DOI:
10.7270/Q2J38XKF
More data for this
Ligand-Target Pair
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