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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
Found
18
hits of ki for monomerid = 50027185
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
Beta-2 adrenergic receptor
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
0.630
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Organon Laboratories
Curated by
ChEMBL
Assay Description
Negative logarithm causing 50% receptor occupancy against beta-2 adrenergic receptor
J Med Chem
48:
6523
-
43
(2005)
Article DOI:
10.1021/jm058225d
BindingDB Entry DOI:
10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
0.631
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
0.631
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
0.631
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
0.790
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Organon Laboratories
Curated by
ChEMBL
Assay Description
Negative logarithm causing 50% receptor occupancy against 5-hydroxytryptamine 1A receptor
J Med Chem
48:
6523
-
43
(2005)
Article DOI:
10.1021/jm058225d
BindingDB Entry DOI:
10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
0.794
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
0.794
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
2
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
7.94
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
12.6
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the human 5-hydroxytryptamine 1A receptor; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
20
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
20
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Binding affinity for human beta-2 adrenergic receptor by displacing [125I]iodocyanopindolol expressed in hamster CHO cells
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter
(Homo sapiens (Human))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
50
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Organon Laboratories
Curated by
ChEMBL
Assay Description
Negative logarithm causing 50% receptor occupancy against serotonin transporter
J Med Chem
48:
6523
-
43
(2005)
Article DOI:
10.1021/jm058225d
BindingDB Entry DOI:
10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
50
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the rat serotonin transporter; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
50.1
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the rat serotonin transporter; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
79.4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the rat serotonin transporter; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
100
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the rat serotonin transporter; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat))
BDBM50027185
(CHEMBL183921)
Show SMILES
CC(COc1ccc2OCC(=O)Nc2c1)NCC(O)COc1cccc2[nH]ccc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
125
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
GlaxoSmithKline
Curated by
ChEMBL
Assay Description
Mean negative logarithim of binding affinity was measured for the rat serotonin transporter; n>/=3
Bioorg Med Chem Lett
15:
737
-
41
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.030
BindingDB Entry DOI:
10.7270/Q2RR220M
More data for this
Ligand-Target Pair