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PubMed code 21788137

Compile data set for download or QSAR
Found 33 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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352148
PNG
(CHEMBL1824789)
Show SMILES Fc1cccc(CCN2C3CC4CC(C3)CC2C4)c1 |TLB:17:16:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12|
Show InChI InChI=1S/C17H22FN/c18-15-3-1-2-12(7-15)4-5-19-16-8-13-6-14(10-16)11-17(19)9-13/h1-3,7,13-14,16-17H,4-6,8-11H2
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8.30n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352151
PNG
(CHEMBL1824786)
Show SMILES Fc1ccc(CN2C3CC4CC(C3)CC2C4)cc1 |TLB:15:14:12:8.9.10,THB:15:9:6.14.13:12,10:9:6:13.11.12,10:11:6:8.15.9,5:6:12:8.9.10|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-11(2-4-14)10-18-15-6-12-5-13(8-15)9-16(18)7-12/h1-4,12-13,15-16H,5-10H2
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12n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352149
PNG
(CHEMBL1824788)
Show SMILES COc1ccc(CN2C3CC4CC(C3)CC2C4)cc1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C17H23NO/c1-19-17-4-2-12(3-5-17)11-18-15-7-13-6-14(9-15)10-16(18)8-13/h2-5,13-16H,6-11H2,1H3
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12n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352147
PNG
(CHEMBL1824790)
Show SMILES Fc1ccc(CCN2C3CC4CC(C3)CC2C4)cc1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C17H22FN/c18-15-3-1-12(2-4-15)5-6-19-16-8-13-7-14(10-16)11-17(19)9-13/h1-4,13-14,16-17H,5-11H2
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13n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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22n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352153
PNG
(CHEMBL1824784)
Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2
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29n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352155
PNG
(CHEMBL1824782)
Show SMILES OC12CC3CC(CC(C3)N1CCc1cccc(F)c1)C2 |TLB:8:7:19:2.3.4,8:3:9.7.6:19,4:5:9:2.8.3,THB:4:3:9:6.5.19,10:9:19:2.3.4|
Show InChI InChI=1S/C17H22FNO/c18-15-3-1-2-12(7-15)4-5-19-16-8-13-6-14(9-16)11-17(19,20)10-13/h1-3,7,13-14,16,20H,4-6,8-11H2
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234n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352150
PNG
(CHEMBL1824787)
Show SMILES COc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:17:16:14:10.11.12,THB:17:11:8.16.15:14,12:11:8:15.13.14,12:13:8:10.17.11,7:8:14:10.11.12|
Show InChI InChI=1S/C17H23NO/c1-19-17-4-2-3-12(10-17)11-18-15-6-13-5-14(8-15)9-16(18)7-13/h2-4,10,13-16H,5-9,11H2,1H3
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239n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352154
PNG
(CHEMBL1824783)
Show SMILES OC12CC3CC(CC(C3)N1CCc1ccc(F)cc1)C2 |TLB:8:7:19:2.3.4,8:3:9.7.6:19,4:5:9:2.8.3,THB:4:3:9:6.5.19,10:9:19:2.3.4|
Show InChI InChI=1S/C17H22FNO/c18-15-3-1-12(2-4-15)5-6-19-16-8-13-7-14(9-16)11-17(19,20)10-13/h1-4,13-14,16,20H,5-11H2
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246n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352158
PNG
(CHEMBL1824779)
Show SMILES OC12CC3CC(CC(C3)N1Cc1ccc(F)cc1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4|
Show InChI InChI=1S/C16H20FNO/c17-14-3-1-11(2-4-14)10-18-15-6-12-5-13(7-15)9-16(18,19)8-12/h1-4,12-13,15,19H,5-10H2
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650n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50352160
PNG
(CHEMBL1824777)
Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|
Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
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662n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352159
PNG
(CHEMBL1824778)
Show SMILES OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4|
Show InChI InChI=1S/C16H20FNO/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(7-15)9-16(18,19)8-12/h1-3,5,12-13,15,19H,4,6-10H2
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862n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50352159
PNG
(CHEMBL1824778)
Show SMILES OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4|
Show InChI InChI=1S/C16H20FNO/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(7-15)9-16(18,19)8-12/h1-3,5,12-13,15,19H,4,6-10H2
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1.20E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352156
PNG
(CHEMBL1824781)
Show SMILES COc1ccc(CN2C3CC4CC(C3)CC2(O)C4)cc1 |TLB:9:10:7.8.13:14,6:7:14:17.10.11,THB:9:8:14:17.10.11,11:10:7:13.12.14,11:12:7:17.9.10|
Show InChI InChI=1S/C17H23NO2/c1-20-16-4-2-12(3-5-16)11-18-15-7-13-6-14(8-15)10-17(18,19)9-13/h2-5,13-15,19H,6-11H2,1H3
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1.24E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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1.36E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M4 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352160
PNG
(CHEMBL1824777)
Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|
Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
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1.45E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50352153
PNG
(CHEMBL1824784)
Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2
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1.78E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M4 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50352157
PNG
(CHEMBL1824780)
Show SMILES COc1cccc(CN2C3CC4CC(C3)CC2(O)C4)c1 |TLB:10:11:8.9.14:15,7:8:15:18.11.12,THB:10:9:15:18.11.12,12:11:8:14.13.15,12:13:8:18.10.11|
Show InChI InChI=1S/C17H23NO2/c1-20-16-4-2-3-12(8-16)11-18-15-6-13-5-14(7-15)10-17(18,19)9-13/h2-4,8,13-15,19H,5-7,9-11H2,1H3
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1.95E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 90 mins by scintillation counting


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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3.54E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M2 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50352153
PNG
(CHEMBL1824784)
Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2
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4.30E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M2 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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5.48E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M5 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50352153
PNG
(CHEMBL1824784)
Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2
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6.55E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of M5 muscarinic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50352159
PNG
(CHEMBL1824778)
Show SMILES OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4|
Show InChI InChI=1S/C16H20FNO/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(7-15)9-16(18,19)8-12/h1-3,5,12-13,15,19H,4,6-10H2
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<1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of H1 receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50352160
PNG
(CHEMBL1824777)
Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|
Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
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<1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of H1 receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50352153
PNG
(CHEMBL1824784)
Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of NET transporter by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50352160
PNG
(CHEMBL1824777)
Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|
Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of alpha-2B adrenergic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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<1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of H1 receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50352160
PNG
(CHEMBL1824777)
Show SMILES OC12CC3CC(CC(C3)N1Cc1ccccc1)C2 |TLB:8:7:17:2.3.4,8:3:9.7.6:17,4:5:9:2.8.3,THB:4:3:9:6.5.17,10:9:17:2.3.4|
Show InChI InChI=1S/C16H21NO/c18-16-9-13-6-14(10-16)8-15(7-13)17(16)11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of alpha-2A adrenergic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of alpha-1A adrenergic receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of NET transporter by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50352159
PNG
(CHEMBL1824778)
Show SMILES OC12CC3CC(CC(C3)N1Cc1cccc(F)c1)C2 |TLB:8:7:18:2.3.4,8:3:9.7.6:18,4:5:9:2.8.3,THB:4:3:9:6.5.18,10:9:18:2.3.4|
Show InChI InChI=1S/C16H20FNO/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(7-15)9-16(18,19)8-12/h1-3,5,12-13,15,19H,4,6-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of NET transporter by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50352153
PNG
(CHEMBL1824784)
Show SMILES C(N1C2CC3CC(C2)CC1C3)c1ccccc1 |TLB:10:9:7:3.4.5,THB:10:4:1.9.8:7,5:4:1:8.6.7,5:6:1:3.10.4,0:1:7:3.4.5|
Show InChI InChI=1S/C16H21N/c1-2-4-12(5-3-1)11-17-15-7-13-6-14(9-15)10-16(17)8-13/h1-5,13-16H,6-11H2
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<1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of H1 receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50352152
PNG
(CHEMBL1824785)
Show SMILES Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 |TLB:16:15:13:9.10.11,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11|
Show InChI InChI=1S/C16H20FN/c17-14-3-1-2-11(5-14)10-18-15-6-12-4-13(8-15)9-16(18)7-12/h1-3,5,12-13,15-16H,4,6-10H2
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of D1 dopamine receptor by NIMH PDSP


Bioorg Med Chem Lett 21: 5289-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.028
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%