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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'akladios' and Initial = 'fn'   
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
OPIATE Sigma


(RAT)
BDBM50354654
PNG
(CHEMBL1833977)
Show SMILES COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c1-26-21-10-8-19(9-11-21)5-4-12-24-13-15-25(16-14-24)18-22-17-20-6-2-3-7-23(20)27-22/h2-3,6-11,17H,4-5,12-16,18H2,1H3
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3.10n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354662
PNG
(CHEMBL1834258)
Show SMILES C(CCc1ccccc1)CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O/c1-2-8-20(9-3-1)10-6-7-13-24-14-16-25(17-15-24)19-22-18-21-11-4-5-12-23(21)26-22/h1-5,8-9,11-12,18H,6-7,10,13-17,19H2
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4.20n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354661
PNG
(CHEMBL1834257)
Show SMILES COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H28N2O2/c1-26-21-9-4-6-19(16-21)7-5-11-24-12-14-25(15-13-24)18-22-17-20-8-2-3-10-23(20)27-22/h2-4,6,8-10,16-17H,5,7,11-15,18H2,1H3
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5.70n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354659
PNG
(CHEMBL1834255)
Show SMILES C(CN1CCN(Cc2cc3ccccc3o2)CC1)Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-2-7-19(8-3-1)9-6-12-23-13-15-24(16-14-23)18-21-17-20-10-4-5-11-22(20)25-21/h1-5,7-8,10-11,17H,6,9,12-16,18H2
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5.70n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354655
PNG
(CHEMBL1834251)
Show SMILES C(Cc1ccccc1)N1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H24N2O/c1-2-6-18(7-3-1)10-11-22-12-14-23(15-13-22)17-20-16-19-8-4-5-9-21(19)24-20/h1-9,16H,10-15,17H2
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7.30n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354664
PNG
(CHEMBL1834260)
Show SMILES COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C24H30N2O2/c1-27-22-10-6-8-20(17-22)7-4-5-12-25-13-15-26(16-14-25)19-23-18-21-9-2-3-11-24(21)28-23/h2-3,6,8-11,17-18H,4-5,7,12-16,19H2,1H3
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7.60n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354660
PNG
(CHEMBL1834256)
Show SMILES COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-26-22-10-4-2-7-19(22)9-6-12-24-13-15-25(16-14-24)18-21-17-20-8-3-5-11-23(20)27-21/h2-5,7-8,10-11,17H,6,9,12-16,18H2,1H3
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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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354658
PNG
(CHEMBL1834254)
Show SMILES COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C22H26N2O2/c1-25-20-8-6-18(7-9-20)10-11-23-12-14-24(15-13-23)17-21-16-19-4-2-3-5-22(19)26-21/h2-9,16H,10-15,17H2,1H3
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9.40n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354665
PNG
(CHEMBL1834261)
Show SMILES COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-27-22-11-9-20(10-12-22)6-4-5-13-25-14-16-26(17-15-25)19-23-18-21-7-2-3-8-24(21)28-23/h2-3,7-12,18H,4-6,13-17,19H2,1H3
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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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354657
PNG
(CHEMBL1834253)
Show SMILES COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H26N2O2/c1-25-20-7-4-5-18(15-20)9-10-23-11-13-24(14-12-23)17-21-16-19-6-2-3-8-22(19)26-21/h2-8,15-16H,9-14,17H2,1H3
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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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354663
PNG
(CHEMBL1834259)
Show SMILES COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H30N2O2/c1-27-23-11-4-2-8-20(23)9-6-7-13-25-14-16-26(17-15-25)19-22-18-21-10-3-5-12-24(21)28-22/h2-5,8,10-12,18H,6-7,9,13-17,19H2,1H3
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16n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50354656
PNG
(CHEMBL1834252)
Show SMILES COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-25-21-8-4-2-6-18(21)10-11-23-12-14-24(15-13-23)17-20-16-19-7-3-5-9-22(19)26-20/h2-9,16H,10-15,17H2,1H3
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17n/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 rat brain homogenate after 2.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354662
PNG
(CHEMBL1834258)
Show SMILES C(CCc1ccccc1)CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O/c1-2-8-20(9-3-1)10-6-7-13-24-14-16-25(17-15-24)19-22-18-21-11-4-5-12-23(21)26-22/h1-5,8-9,11-12,18H,6-7,10,13-17,19H2
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89n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354656
PNG
(CHEMBL1834252)
Show SMILES COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-25-21-8-4-2-6-18(21)10-11-23-12-14-24(15-13-23)17-20-16-19-7-3-5-9-22(19)26-20/h2-9,16H,10-15,17H2,1H3
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120n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354659
PNG
(CHEMBL1834255)
Show SMILES C(CN1CCN(Cc2cc3ccccc3o2)CC1)Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-2-7-19(8-3-1)9-6-12-23-13-15-24(16-14-23)18-21-17-20-10-4-5-11-22(20)25-21/h1-5,7-8,10-11,17H,6,9,12-16,18H2
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147n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354654
PNG
(CHEMBL1833977)
Show SMILES COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c1-26-21-10-8-19(9-11-21)5-4-12-24-13-15-25(16-14-24)18-22-17-20-6-2-3-7-23(20)27-22/h2-3,6-11,17H,4-5,12-16,18H2,1H3
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155n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354661
PNG
(CHEMBL1834257)
Show SMILES COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H28N2O2/c1-26-21-9-4-6-19(16-21)7-5-11-24-12-14-25(15-13-24)18-22-17-20-8-2-3-10-23(20)27-22/h2-4,6,8-10,16-17H,5,7,11-15,18H2,1H3
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243n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354662
PNG
(CHEMBL1834258)
Show SMILES C(CCc1ccccc1)CN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O/c1-2-8-20(9-3-1)10-6-7-13-24-14-16-25(17-15-24)19-22-18-21-11-4-5-12-23(21)26-22/h1-5,8-9,11-12,18H,6-7,10,13-17,19H2
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275n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354657
PNG
(CHEMBL1834253)
Show SMILES COc1cccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C22H26N2O2/c1-25-20-7-4-5-18(15-20)9-10-23-11-13-24(14-12-23)17-21-16-19-6-2-3-8-22(19)26-21/h2-8,15-16H,9-14,17H2,1H3
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290n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354655
PNG
(CHEMBL1834251)
Show SMILES C(Cc1ccccc1)N1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C21H24N2O/c1-2-6-18(7-3-1)10-11-22-12-14-23(15-13-22)17-20-16-19-8-4-5-9-21(19)24-20/h1-9,16H,10-15,17H2
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310n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354663
PNG
(CHEMBL1834259)
Show SMILES COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H30N2O2/c1-27-23-11-4-2-8-20(23)9-6-7-13-25-14-16-26(17-15-25)19-22-18-21-10-3-5-12-24(21)28-22/h2-5,8,10-12,18H,6-7,9,13-17,19H2,1H3
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332n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354664
PNG
(CHEMBL1834260)
Show SMILES COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C24H30N2O2/c1-27-22-10-6-8-20(17-22)7-4-5-12-25-13-15-26(16-14-25)19-23-18-21-9-2-3-11-24(21)28-23/h2-3,6,8-11,17-18H,4-5,7,12-16,19H2,1H3
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343n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354665
PNG
(CHEMBL1834261)
Show SMILES COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-27-22-11-9-20(10-12-22)6-4-5-13-25-14-16-26(17-15-25)19-23-18-21-7-2-3-8-24(21)28-23/h2-3,7-12,18H,4-6,13-17,19H2,1H3
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352n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354663
PNG
(CHEMBL1834259)
Show SMILES COc1ccccc1CCCCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H30N2O2/c1-27-23-11-4-2-8-20(23)9-6-7-13-25-14-16-26(17-15-25)19-22-18-21-10-3-5-12-24(21)28-22/h2-5,8,10-12,18H,6-7,9,13-17,19H2,1H3
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432n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354658
PNG
(CHEMBL1834254)
Show SMILES COc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C22H26N2O2/c1-25-20-8-6-18(7-9-20)10-11-23-12-14-24(15-13-23)17-21-16-19-4-2-3-5-22(19)26-21/h2-9,16H,10-15,17H2,1H3
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463n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354664
PNG
(CHEMBL1834260)
Show SMILES COc1cccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C24H30N2O2/c1-27-22-10-6-8-20(17-22)7-4-5-12-25-13-15-26(16-14-25)19-23-18-21-9-2-3-11-24(21)28-23/h2-3,6,8-11,17-18H,4-5,7,12-16,19H2,1H3
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484n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354661
PNG
(CHEMBL1834257)
Show SMILES COc1cccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)c1
Show InChI InChI=1S/C23H28N2O2/c1-26-21-9-4-6-19(16-21)7-5-11-24-12-14-25(15-13-24)18-22-17-20-8-2-3-10-23(20)27-22/h2-4,6,8-10,16-17H,5,7,11-15,18H2,1H3
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556n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50354660
PNG
(CHEMBL1834256)
Show SMILES COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-26-22-10-4-2-7-19(22)9-6-12-24-13-15-25(16-14-24)18-21-17-20-8-3-5-11-23(20)27-21/h2-5,7-8,10-11,17H,6,9,12-16,18H2,1H3
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628n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5-HT2B after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354659
PNG
(CHEMBL1834255)
Show SMILES C(CN1CCN(Cc2cc3ccccc3o2)CC1)Cc1ccccc1
Show InChI InChI=1S/C22H26N2O/c1-2-7-19(8-3-1)9-6-12-23-13-15-24(16-14-23)18-21-17-20-10-4-5-11-22(20)25-21/h1-5,7-8,10-11,17H,6,9,12-16,18H2
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1.03E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354656
PNG
(CHEMBL1834252)
Show SMILES COc1ccccc1CCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C22H26N2O2/c1-25-21-8-4-2-6-18(21)10-11-23-12-14-24(15-13-23)17-20-16-19-7-3-5-9-22(19)26-20/h2-9,16H,10-15,17H2,1H3
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1.65E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354665
PNG
(CHEMBL1834261)
Show SMILES COc1ccc(CCCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C24H30N2O2/c1-27-22-11-9-20(10-12-22)6-4-5-13-25-14-16-26(17-15-25)19-23-18-21-7-2-3-8-24(21)28-23/h2-3,7-12,18H,4-6,13-17,19H2,1H3
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5.79E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354660
PNG
(CHEMBL1834256)
Show SMILES COc1ccccc1CCCN1CCN(Cc2cc3ccccc3o2)CC1
Show InChI InChI=1S/C23H28N2O2/c1-26-22-10-4-2-7-19(22)9-6-12-24-13-15-25(16-14-24)18-21-17-20-8-3-5-11-23(20)27-21/h2-5,7-8,10-11,17H,6,9,12-16,18H2,1H3
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5.87E+3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50354654
PNG
(CHEMBL1833977)
Show SMILES COc1ccc(CCCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
Show InChI InChI=1S/C23H28N2O2/c1-26-21-10-8-19(9-11-21)5-4-12-24-13-15-25(16-14-24)18-22-17-20-6-2-3-7-23(20)27-22/h2-3,6-11,17H,4-5,12-16,18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from D2 after 1.5 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 5707-10 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.029
BindingDB Entry DOI: 10.7270/Q20Z73P4
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364914
PNG
(CHEMBL1950178)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O4/c1-2-21-14(20)12(7-4-8-13(18)19)17-16-11-6-3-5-10(15)9-11/h3,5-6,9,16H,2,4,7-8H2,1H3,(H,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364911
PNG
(CHEMBL1950173)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN2O4/c1-2-21-14(20)12(4-3-5-13(18)19)17-16-11-8-6-10(15)7-9-11/h6-9,16H,2-5H2,1H3,(H,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364910
PNG
(CHEMBL1950174)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H17BrN2O4/c1-2-21-14(20)12(4-3-5-13(18)19)17-16-11-8-6-10(15)7-9-11/h6-9,16H,2-5H2,1H3,(H,18,19)
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n/an/a 2.10E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364912
PNG
(CHEMBL1950176)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(C)cc1
Show InChI InChI=1S/C15H20N2O4/c1-3-21-15(20)13(5-4-6-14(18)19)17-16-12-9-7-11(2)8-10-12/h7-10,16H,3-6H2,1-2H3,(H,18,19)
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n/an/a 3.30E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364915
PNG
(CHEMBL1950179)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(I)cc1
Show InChI InChI=1S/C14H17IN2O4/c1-2-21-14(20)12(4-3-5-13(18)19)17-16-11-8-6-10(15)7-9-11/h6-9,16H,2-5H2,1H3,(H,18,19)
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n/an/a 3.40E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364913
PNG
(CHEMBL1950177)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(OC)cc1
Show InChI InChI=1S/C15H20N2O5/c1-3-22-15(20)13(5-4-6-14(18)19)17-16-11-7-9-12(21-2)10-8-11/h7-10,16H,3-6H2,1-2H3,(H,18,19)
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n/an/a 4.30E+4n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364909
PNG
(CHEMBL1950175)
Show SMILES CCOC(=O)C(CCCC(O)=O)=NNc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H17N3O6/c1-2-23-14(20)12(4-3-5-13(18)19)16-15-10-6-8-11(9-7-10)17(21)22/h6-9,15H,2-5H2,1H3,(H,18,19)
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n/an/a 1.79E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364916
PNG
(CHEMBL1950315)
Show SMILES OC(=O)CCc1c([nH]c2ccc(Br)cc12)C(O)=O
Show InChI InChI=1S/C12H10BrNO4/c13-6-1-3-9-8(5-6)7(2-4-10(15)16)11(14-9)12(17)18/h1,3,5,14H,2,4H2,(H,15,16)(H,17,18)
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n/an/a 2.71E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50004956
PNG
(3-(2-Carboxy-ethyl)-5-chloro-1H-indole-2-carboxyli...)
Show SMILES OC(=O)CCc1c([nH]c2ccc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C12H10ClNO4/c13-6-1-3-9-8(5-6)7(2-4-10(15)16)11(14-9)12(17)18/h1,3,5,14H,2,4H2,(H,15,16)(H,17,18)
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n/an/a 2.93E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364917
PNG
(CHEMBL1950316)
Show SMILES OC(=O)CCc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C12H10N2O6/c15-10(16)4-2-7-8-5-6(14(19)20)1-3-9(8)13-11(7)12(17)18/h1,3,5,13H,2,4H2,(H,15,16)(H,17,18)
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n/an/a 6.66E+5n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364918
PNG
(CHEMBL1950317)
Show SMILES Cc1ccc2[nH]c(C(O)=O)c(CCC(O)=O)c2c1
Show InChI InChI=1S/C13H13NO4/c1-7-2-4-10-9(6-7)8(3-5-11(15)16)12(14-10)13(17)18/h2,4,6,14H,3,5H2,1H3,(H,15,16)(H,17,18)
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n/an/a>1.00E+6n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair
Kynurenine Aminotransferase 1/Glutamine Transaminase K


(Homo sapiens (Human))
BDBM50364919
PNG
(CHEMBL1508899)
Show SMILES COc1ccc2[nH]c(C(O)=O)c(CCC(O)=O)c2c1
Show InChI InChI=1S/C13H13NO5/c1-19-7-2-4-10-9(6-7)8(3-5-11(15)16)12(14-10)13(17)18/h2,4,6,14H,3,5H2,1H3,(H,15,16)(H,17,18)
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PC cid
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UniChem

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Article
PubMed
n/an/a>6.00E+6n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KAT1 after 20 mins by RP-HPLC analysis


Bioorg Med Chem Lett 22: 1579-81 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.138
BindingDB Entry DOI: 10.7270/Q2891693
More data for this
Ligand-Target Pair