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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:
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1OC
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 = 50570808
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
D(3) dopamine receptor
(Homo sapiens)
BDBM50570808
(CHEMBL4846574)
Show SMILES
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1OC
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.20
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128047
BindingDB Entry DOI:
10.7270/Q2CJ8J8S
More data for this
Ligand-Target Pair
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50570808
(CHEMBL4846574)
Show SMILES
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1OC
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
46
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128047
BindingDB Entry DOI:
10.7270/Q2CJ8J8S
More data for this
Ligand-Target Pair
D(4) dopamine receptor
(Homo sapiens (Human))
BDBM50570808
(CHEMBL4846574)
Show SMILES
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1OC
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
57
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128047
BindingDB Entry DOI:
10.7270/Q2CJ8J8S
More data for this
Ligand-Target Pair
D(1B) dopamine receptor
(Homo sapiens (Human))
BDBM50570808
(CHEMBL4846574)
Show SMILES
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1OC
Show InChI
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
300
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128047
BindingDB Entry DOI:
10.7270/Q2CJ8J8S
More data for this
Ligand-Target Pair
D(1A) dopamine receptor
(Homo sapiens (Human))
BDBM50570808
(CHEMBL4846574)
Show SMILES
COc1cc2CCN(Cc3ccccc3CNC(=O)c3cccc(c3)C#N)Cc2cc1OC
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
510
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128047
BindingDB Entry DOI:
10.7270/Q2CJ8J8S
More data for this
Ligand-Target Pair
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