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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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null
SMILES:
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12
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
12
hits for monomerid = 50590331
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
Cannabinoid receptor 1
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
501
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
501
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
891
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
891
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
6.03E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
>6.08E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
4.57E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
202
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
200
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
4.62E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.48E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1
(Homo sapiens (Human))
BDBM50590331
(CHEMBL5206032)
Show SMILES
CCCCn1cc(C(=O)N[C@@H](C(C)C)C(N)=O)c2cccnc12 |r|
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.49E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00242b
BindingDB Entry DOI:
10.7270/Q2G73JQJ
More data for this
Ligand-Target Pair
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