Found 50 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50384295
(CHEMBL2030625)Show InChI InChI=1S/C13H23N/c1-2-4-11(5-3-1)10-14-12-6-7-13(14)9-8-12/h11-13H,1-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50384293
(CHEMBL2030634)Show InChI InChI=1S/C11H21N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h11H,1-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50384291
(CHEMBL2030628)Show InChI InChI=1S/C14H18FN/c15-12-3-1-2-11(10-12)8-9-16-13-4-5-14(16)7-6-13/h1-3,10,13-14H,4-9H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50384294
(CHEMBL2030630)Show InChI InChI=1S/C15H20FN/c16-13-5-1-3-12(11-13)4-2-10-17-14-6-7-15(17)9-8-14/h1,3,5,11,14-15H,2,4,6-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50384297
(CHEMBL2030627)Show InChI InChI=1S/C14H19N/c1-2-4-12(5-3-1)10-11-15-13-6-7-14(15)9-8-13/h1-5,13-14H,6-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 276 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 661 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M3 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 696 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M2 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 802 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M5 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50384293
(CHEMBL2030634)Show InChI InChI=1S/C11H21N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h11H,1-10H2 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 862 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of alpha2C adrenergic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384297
(CHEMBL2030627)Show InChI InChI=1S/C14H19N/c1-2-4-12(5-3-1)10-11-15-13-6-7-14(15)9-8-13/h1-5,13-14H,6-11H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M4 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50384282
(CHEMBL2030636)Show InChI InChI=1S/C12H16FN/c13-12-5-3-4-11(10-12)6-9-14-7-1-2-8-14/h3-5,10H,1-2,6-9H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50384295
(CHEMBL2030625)Show InChI InChI=1S/C13H23N/c1-2-4-11(5-3-1)10-14-12-6-7-13(14)9-8-12/h11-13H,1-10H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M5 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50384293
(CHEMBL2030634)Show InChI InChI=1S/C11H21N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h11H,1-10H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M5 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50384290
(CHEMBL2030635)Show InChI InChI=1S/C12H17N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h1-3,6-7H,4-5,8-11H2 | NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50384289
(CHEMBL2030637)Show InChI InChI=1S/C13H18FN/c14-13-7-3-5-12(11-13)6-4-10-15-8-1-2-9-15/h3,5,7,11H,1-2,4,6,8-10H2 | NCI pathway
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50384296
(CHEMBL2030629)Show InChI InChI=1S/C13H18N2/c1-2-9-14-11(3-1)8-10-15-12-4-5-13(15)7-6-12/h1-3,9,12-13H,4-8,10H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain homogenate |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of alpha2B adrenergic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of alpha2C adrenergic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384289
(CHEMBL2030637)Show InChI InChI=1S/C13H18FN/c14-13-7-3-5-12(11-13)6-4-10-15-8-1-2-9-15/h3,5,7,11H,1-2,4,6,8-10H2 | PDB
KEGG
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50384295
(CHEMBL2030625)Show InChI InChI=1S/C13H23N/c1-2-4-11(5-3-1)10-14-12-6-7-13(14)9-8-12/h11-13H,1-10H2 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M2 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50384295
(CHEMBL2030625)Show InChI InChI=1S/C13H23N/c1-2-4-11(5-3-1)10-14-12-6-7-13(14)9-8-12/h11-13H,1-10H2 | UniProtKB/SwissProt
antibodypedia
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PubMed
| 5.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M1 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50384295
(CHEMBL2030625)Show InChI InChI=1S/C13H23N/c1-2-4-11(5-3-1)10-14-12-6-7-13(14)9-8-12/h11-13H,1-10H2 | PDB
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| 6.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M4 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50384297
(CHEMBL2030627)Show InChI InChI=1S/C14H19N/c1-2-4-12(5-3-1)10-11-15-13-6-7-14(15)9-8-13/h1-5,13-14H,6-11H2 | PDB
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PubMed
| 7.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of H3 receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | UniProtKB/SwissProt
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PubMed
| 7.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of M1 muscarinic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384289
(CHEMBL2030637)Show InChI InChI=1S/C13H18FN/c14-13-7-3-5-12(11-13)6-4-10-15-8-1-2-9-15/h3,5,7,11H,1-2,4,6,8-10H2 | PDB
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PubMed
| 9.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50138491
(3-Pyrrolidin-1-ylmethyl-pyridine | CHEMBL148489)Show InChI InChI=1S/C10H14N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h3-5,8H,1-2,6-7,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384282
(CHEMBL2030636)Show InChI InChI=1S/C12H16FN/c13-12-5-3-4-11(10-12)6-9-14-7-1-2-8-14/h3-5,10H,1-2,6-9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384287
(CHEMBL2030622)Show InChI InChI=1S/C13H17N/c1-2-4-11(5-3-1)10-14-12-6-7-13(14)9-8-12/h1-5,12-13H,6-10H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384284
(CHEMBL2030632)Show InChI InChI=1S/C11H14FN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384292
(CHEMBL2030624)Show InChI InChI=1S/C15H21NO2/c1-17-14-8-3-11(9-15(14)18-2)10-16-12-4-5-13(16)7-6-12/h3,8-9,12-13H,4-7,10H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50372289
(CHEMBL270595)Show InChI InChI=1S/C11H16N2/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13/h1-2,5,7H,3-4,6,8-10H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384291
(CHEMBL2030628)Show InChI InChI=1S/C14H18FN/c15-12-3-1-2-11(10-12)8-9-16-13-4-5-14(16)7-6-13/h1-3,10,13-14H,4-9H2 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384296
(CHEMBL2030629)Show InChI InChI=1S/C13H18N2/c1-2-9-14-11(3-1)8-10-15-12-4-5-13(15)7-6-12/h1-3,9,12-13H,4-8,10H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384290
(CHEMBL2030635)Show InChI InChI=1S/C12H17N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h1-3,6-7H,4-5,8-11H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384288
(CHEMBL2030623)Show InChI InChI=1S/C13H16FN/c14-11-3-1-2-10(8-11)9-15-12-4-5-13(15)7-6-12/h1-3,8,12-13H,4-7,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D3 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | UniProtKB/SwissProt
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of alpha1B adrenergic receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384294
(CHEMBL2030630)Show InChI InChI=1S/C15H20FN/c16-13-5-1-3-12(11-13)4-2-10-17-14-6-7-15(17)9-8-14/h1,3,5,11,14-15H,2,4,6-10H2 | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50384286
(CHEMBL2030626)Show SMILES C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)| Show InChI InChI=1S/C15H19N/c1-2-7-4-3-6(1)16(7)5-15-12-9-8-10(12)14(15)11(8)13(9)15/h6-14H,1-5H2 | NCI pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of DAT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384283
(CHEMBL2030631)Show InChI InChI=1S/C11H15N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7H,4-5,8-10H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384292
(CHEMBL2030624)Show InChI InChI=1S/C15H21NO2/c1-17-14-8-3-11(9-15(14)18-2)10-16-12-4-5-13(16)7-6-12/h3,8-9,12-13H,4-7,10H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384287
(CHEMBL2030622)Show InChI InChI=1S/C13H17N/c1-2-4-11(5-3-1)10-14-12-6-7-13(14)9-8-12/h1-5,12-13H,6-10H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384288
(CHEMBL2030623)Show InChI InChI=1S/C13H16FN/c14-11-3-1-2-10(8-11)9-15-12-4-5-13(15)7-6-12/h1-3,8,12-13H,4-7,9H2 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50115289
(7-Pyridin-3-ylmethyl-7-aza-bicyclo[2.2.1]heptane |...)Show InChI InChI=1S/C12H16N2/c1-2-10(8-13-7-1)9-14-11-3-4-12(14)6-5-11/h1-2,7-8,11-12H,3-6,9H2 | PDB
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50384293
(CHEMBL2030634)Show InChI InChI=1S/C11H21N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h11H,1-10H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D5 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50384282
(CHEMBL2030636)Show InChI InChI=1S/C12H16FN/c13-12-5-3-4-11(10-12)6-9-14-7-1-2-8-14/h3-5,10H,1-2,6-9H2 | PDB
Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50384285
(CHEMBL2030633)Show InChI InChI=1S/C13H19NO2/c1-15-12-6-5-11(9-13(12)16-2)10-14-7-3-4-8-14/h5-6,9H,3-4,7-8,10H2,1-2H3 | PDB
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of SERT |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50372289
(CHEMBL270595)Show InChI InChI=1S/C11H16N2/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13/h1-2,5,7H,3-4,6,8-10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney
Curated by ChEMBL
| Assay Description
Inhibition of D2 dopamine receptor |
Bioorg Med Chem Lett 22: 4059-63 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.077
BindingDB Entry DOI: 10.7270/Q2CF9R4T |
More data for this
Ligand-Target Pair | |
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