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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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null
SMILES:
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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
19
hits for monomerid = 50596945
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
5-hydroxytryptamine receptor 7
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.5
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.90
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
22
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C
(Homo sapiens)
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
25
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
29
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
39
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
52
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
70
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
113
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
666
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.48E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.49E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.79E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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
0.575
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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
0.580
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C
(Homo sapiens)
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
0.468
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C
(Homo sapiens)
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
0.5
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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
n/a
n/a
1.70
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50596945
(CHEMBL5207529)
Show SMILES
Cl.COc1cc(OC)c(cc1OC)C1NCCc2c1[nH]c1ccc(Cl)cc21
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
n/a
n/a
1.70
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00694
BindingDB Entry DOI:
10.7270/Q2ZP4B4N
More data for this
Ligand-Target Pair
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