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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Compound Mol. Wt.
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
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null
SMILES:
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)S(=O)(=O)NCC
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 = 50583314
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
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50583314
(CHEMBL5075910)
Show SMILES
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)S(=O)(=O)NCC
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
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of hERG expressed in HEK cells by patch clamp method
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI:
10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human))
BDBM50583314
(CHEMBL5075910)
Show SMILES
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)S(=O)(=O)NCC
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human Nav1.5 expressed in HEK cells by patch clamp method
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI:
10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human))
BDBM50583314
(CHEMBL5075910)
Show SMILES
CCNC(=N)NC(=O)Nc1c(CC)cc(cc1CC)S(=O)(=O)NCC
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human Cav1.2 expressed in HEK cells by patch clamp method
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01565
BindingDB Entry DOI:
10.7270/Q2MG7TD0
More data for this
Ligand-Target Pair
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