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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
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ΔH°
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Deposition
Contribute data
Sent Comments
null
SMILES:
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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
20
hits for monomerid = 50596936
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 2B
(Homo sapiens (Human))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.5
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 7
(Homo sapiens (Human))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
8
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Article
PubMed
32
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)
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
36
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
48
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
80
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
164
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
177
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
225
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
D(4) dopamine receptor
(Homo sapiens (Human))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
609
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1.03E+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
D(3) dopamine receptor
(Homo sapiens)
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.25E+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 1E
(Homo sapiens (Human))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.75E+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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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
3.10
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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
3.20
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)
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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
8.90
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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
8.30
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))
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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
8.30
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)
BDBM50596936
(CHEMBL5170784)
Show SMILES
COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)c(O)c1
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
8.90
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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