new BindingDB logo
myBDB logout

PubMed code 24365159

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.390n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)|
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.398n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35938
PNG
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.920n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35938
PNG
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445613
PNG
(ASENAPINE MALEATE | Asenapine maleate | CHEBI:7124...)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21 |r|
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
5.70n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445613
PNG
(ASENAPINE MALEATE | Asenapine maleate | CHEBI:7124...)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21 |r|
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
5.80n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50445615
PNG
(CHEMBL3104092)
Show SMILES CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
Show InChI InChI=1S/C20H20N2/c1-21-10-9-19-18(13-21)17-8-4-7-15-11-14-5-2-3-6-16(14)12-22(19)20(15)17/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
48n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50445615
PNG
(CHEMBL3104092)
Show SMILES CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
Show InChI InChI=1S/C20H20N2/c1-21-10-9-19-18(13-21)17-8-4-7-15-11-14-5-2-3-6-16(14)12-22(19)20(15)17/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
48n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
70n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
71n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
81n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
81n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
219n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
501n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
529n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
832n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
835n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
933n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
943n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.14E+3n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.31E+3n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50445615
PNG
(CHEMBL3104092)
Show SMILES CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
Show InChI InChI=1S/C20H20N2/c1-21-10-9-19-18(13-21)17-8-4-7-15-11-14-5-2-3-6-16(14)12-22(19)20(15)17/h2-8H,9-13H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H](+)Pentazocine from sigma 1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50445615
PNG
(CHEMBL3104092)
Show SMILES CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
Show InChI InChI=1S/C20H20N2/c1-21-10-9-19-18(13-21)17-8-4-7-15-11-14-5-2-3-6-16(14)12-22(19)20(15)17/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445615
PNG
(CHEMBL3104092)
Show SMILES CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
Show InChI InChI=1S/C20H20N2/c1-21-10-9-19-18(13-21)17-8-4-7-15-11-14-5-2-3-6-16(14)12-22(19)20(15)17/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50445615
PNG
(CHEMBL3104092)
Show SMILES CN1CCc2c(C1)c1cccc3Cc4ccccc4Cn2c13
Show InChI InChI=1S/C20H20N2/c1-21-10-9-19-18(13-21)17-8-4-7-15-11-14-5-2-3-6-16(14)12-22(19)20(15)17/h2-8H,9-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methylspiperone from dopamine D2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%