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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 511.7
BDBM50585908
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
8
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50585908
(CHEMBL1181770 | SB-699551)
Show SMILES
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
<2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT1AR (unknown origin) assessed as inhibition constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI:
10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human))
BDBM50585908
(CHEMBL1181770 | SB-699551)
Show SMILES
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
<2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT1BR (unknown origin) assessed as inhibition constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI:
10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human))
BDBM50585908
(CHEMBL1181770 | SB-699551)
Show SMILES
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
<2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT1DR (unknown origin) assessed as inhibition constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI:
10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human))
BDBM50585908
(CHEMBL1181770 | SB-699551)
Show SMILES
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
<2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to human 5-HT5AR
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI:
10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human))
BDBM50585908
(CHEMBL1181770 | SB-699551)
Show SMILES
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
<2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2BR (unknown origin) assessed as inhibition constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI:
10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human))
BDBM50585908
(CHEMBL1181770 | SB-699551)
Show SMILES
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
<2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2CR (unknown origin) assessed as inhibition constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI:
10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human))
BDBM50585908
(CHEMBL1181770 | SB-699551)
Show SMILES
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
<2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT3 (unknown origin) assessed as inhibition constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI:
10.7270/Q2G73JM6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50585908
(CHEMBL1181770 | SB-699551)
Show SMILES
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)CCC1CCCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
<2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin) assessed as inhibition constant
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c02031
BindingDB Entry DOI:
10.7270/Q2G73JM6
More data for this
Ligand-Target Pair