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Compile Data Set for Download or QSAR

Found 240 hits with Last Name = 'torrecillas' and Initial = 'ir'   
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 1A


(Rattus norvegicus (rat))
BDBM50359421
PNG
(CHEMBL1926735)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-2,6,8,16,21,24H,3-5,7,9-14H2/t16-/m0/s1
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1.23n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359428
PNG
(CHEMBL1926759)
Show SMILES Oc1csc(=O)n1CCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C19H26N2O3S/c22-18-14-25-19(23)21(18)12-6-2-1-5-11-20-13-16-10-9-15-7-3-4-8-17(15)24-16/h3-4,7-8,14,16,20,22H,1-2,5-6,9-13H2
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1.30n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359422
PNG
(CHEMBL1926734)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNC[C@H]1CCc2ccccc2O1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-2,6,8,16,21,24H,3-5,7,9-14H2/t16-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359420
PNG
(CHEMBL1926744)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H29N3O3/c25-20-18-8-3-5-13-23(18)21(26)24(20)14-6-4-12-22-15-17-11-10-16-7-1-2-9-19(16)27-17/h1-2,7,9,17,22,25H,3-6,8,10-15H2
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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5.5n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359436
PNG
(CHEMBL1926751)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C22H31N3O3/c26-21-19-9-7-15-24(19)22(27)25(21)14-6-2-1-5-13-23-16-18-12-11-17-8-3-4-10-20(17)28-18/h3-4,8,10,18,23,26H,1-2,5-7,9,11-16H2
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5.90n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359436
PNG
(CHEMBL1926751)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C22H31N3O3/c26-21-19-9-7-15-24(19)22(27)25(21)14-6-2-1-5-13-23-16-18-12-11-17-8-3-4-10-20(17)28-18/h3-4,8,10,18,23,26H,1-2,5-7,9,11-16H2
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7.60n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359425
PNG
(CHEMBL1926730)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H25N3O2/c25-20-19-8-5-13-23(19)21(26)24(20)12-4-3-11-22-15-16-9-10-17-6-1-2-7-18(17)14-16/h1-2,6-7,9-10,14,22,25H,3-5,8,11-13,15H2
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8n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359438
PNG
(CHEMBL1926750)
Show SMILES Oc1c2CCCn2c(=O)n1CCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C19H25N3O3/c23-18-16-6-3-11-21(16)19(24)22(18)12-4-10-20-13-15-9-8-14-5-1-2-7-17(14)25-15/h1-2,5,7,15,20,23H,3-4,6,8-13H2
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8.20n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359423
PNG
(CHEMBL1926732)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2n1
Show InChI InChI=1S/C20H24N4O2/c25-19-18-8-5-13-23(18)20(26)24(19)12-4-3-11-21-14-16-10-9-15-6-1-2-7-17(15)22-16/h1-2,6-7,9-10,21,25H,3-5,8,11-14H2
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8.30n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)
BDBM50359427
PNG
(CHEMBL1926760)
Show SMILES Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H30N2O3S/c24-20-16-27-21(25)23(20)14-8-4-2-1-3-7-13-22-15-18-12-11-17-9-5-6-10-19(17)26-18/h5-6,9-10,16,18,22,24H,1-4,7-8,11-15H2
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12n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY278584 from 5HT3 receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 30 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359427
PNG
(CHEMBL1926760)
Show SMILES Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H30N2O3S/c24-20-16-27-21(25)23(20)14-8-4-2-1-3-7-13-22-15-18-12-11-17-9-5-6-10-19(17)26-18/h5-6,9-10,16,18,22,24H,1-4,7-8,11-15H2
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12n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359427
PNG
(CHEMBL1926760)
Show SMILES Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H30N2O3S/c24-20-16-27-21(25)23(20)14-8-4-2-1-3-7-13-22-15-18-12-11-17-9-5-6-10-19(17)26-18/h5-6,9-10,16,18,22,24H,1-4,7-8,11-15H2
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12.6n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359437
PNG
(CHEMBL1926686)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H29N3O3/c25-20-18-8-6-14-23(18)21(26)24(20)13-5-1-4-12-22-15-17-11-10-16-7-2-3-9-19(16)27-17/h2-3,7,9,17,22,25H,1,4-6,8,10-15H2
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12.9n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359416
PNG
(CHEMBL1926748)
Show SMILES Oc1c2CSCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C19H25N3O3S/c23-18-16-12-26-13-22(16)19(24)21(18)10-4-3-9-20-11-15-8-7-14-5-1-2-6-17(14)25-15/h1-2,5-6,15,20,23H,3-4,7-13H2
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13n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359439
PNG
(CHEMBL1926749)
Show SMILES Oc1csc(=O)n1CCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C17H22N2O3S/c20-16-12-23-17(21)19(16)10-4-3-9-18-11-14-8-7-13-5-1-2-6-15(13)22-14/h1-2,5-6,12,14,18,20H,3-4,7-11H2
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15.1n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359417
PNG
(CHEMBL1926747)
Show SMILES Oc1c2CCSn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C19H25N3O3S/c23-18-16-9-12-26-22(16)19(24)21(18)11-4-3-10-20-13-15-8-7-14-5-1-2-6-17(14)25-15/h1-2,5-6,15,20,23H,3-4,7-13H2
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20n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359419
PNG
(CHEMBL1926745)
Show SMILES O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCN12
Show InChI InChI=1S/C21H29N3O3/c25-20-15-23(21(26)18-7-5-13-24(18)20)12-4-3-11-22-14-17-10-9-16-6-1-2-8-19(16)27-17/h1-2,6,8,17-18,22H,3-5,7,9-15H2
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21n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359434
PNG
(CHEMBL1926753)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3+
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27n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359431
PNG
(CHEMBL1926756)
Show SMILES Oc1c2CCCn2c(=O)n1Cc1ccc(CNCC2CCc3ccccc3O2)cc1
Show InChI InChI=1S/C24H27N3O3/c28-23-21-5-3-13-26(21)24(29)27(23)16-18-9-7-17(8-10-18)14-25-15-20-12-11-19-4-1-2-6-22(19)30-20/h1-2,4,6-10,20,25,28H,3,5,11-16H2
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28n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359426
PNG
(CHEMBL1926729)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCCc1cccc2ccccc12
Show InChI InChI=1S/C22H27N3O2/c26-21-20-11-6-16-24(20)22(27)25(21)15-4-3-13-23-14-12-18-9-5-8-17-7-1-2-10-19(17)18/h1-2,5,7-10,23,26H,3-4,6,11-16H2
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28n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359418
PNG
(CHEMBL1926746)
Show SMILES O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCCN12
Show InChI InChI=1S/C22H31N3O3/c26-21-16-24(22(27)19-8-3-5-14-25(19)21)13-6-4-12-23-15-18-11-10-17-7-1-2-9-20(17)28-18/h1-2,7,9,18-19,23H,3-6,8,10-16H2
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34n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359421
PNG
(CHEMBL1926735)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-2,6,8,16,21,24H,3-5,7,9-14H2/t16-/m0/s1
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36.7n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50359430
PNG
(CHEMBL1926757)
Show SMILES Oc1c2CCCn2c(=O)n1Cc1cccc(CNCC2CCc3ccccc3O2)c1
Show InChI InChI=1S/C24H27N3O3/c28-23-21-8-4-12-26(21)24(29)27(23)16-18-6-3-5-17(13-18)14-25-15-20-11-10-19-7-1-2-9-22(19)30-20/h1-3,5-7,9,13,20,25,28H,4,8,10-12,14-16H2
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40n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley albinus rat striatal membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359422
PNG
(CHEMBL1926734)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNC[C@H]1CCc2ccccc2O1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-2,6,8,16,21,24H,3-5,7,9-14H2/t16-/m1/s1
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41n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359430
PNG
(CHEMBL1926757)
Show SMILES Oc1c2CCCn2c(=O)n1Cc1cccc(CNCC2CCc3ccccc3O2)c1
Show InChI InChI=1S/C24H27N3O3/c28-23-21-8-4-12-26(21)24(29)27(23)16-18-6-3-5-17(13-18)14-25-15-20-11-10-19-7-1-2-9-22(19)30-20/h1-3,5-7,9,13,20,25,28H,4,8,10-12,14-16H2
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42n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359424
PNG
(CHEMBL1926731)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O2/c26-21-20-8-5-15-24(20)22(27)25(21)14-4-3-12-23-13-11-17-9-10-18-6-1-2-7-19(18)16-17/h1-2,6-7,9-10,16,23,26H,3-5,8,11-15H2
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43n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359425
PNG
(CHEMBL1926730)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H25N3O2/c25-20-19-8-5-13-23(19)21(26)24(20)12-4-3-11-22-15-16-9-10-17-6-1-2-7-18(17)14-16/h1-2,6-7,9-10,14,22,25H,3-5,8,11-13,15H2
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49n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50359427
PNG
(CHEMBL1926760)
Show SMILES Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H30N2O3S/c24-20-16-27-21(25)23(20)14-8-4-2-1-3-7-13-22-15-18-12-11-17-9-5-6-10-19(17)26-18/h5-6,9-10,16,18,22,24H,1-4,7-8,11-15H2
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60n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in Sprague-Dawley albinus rat striatal membranes after 30 mins by scintillation counting


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359438
PNG
(CHEMBL1926750)
Show SMILES Oc1c2CCCn2c(=O)n1CCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C19H25N3O3/c23-18-16-6-3-11-21(16)19(24)22(18)12-4-10-20-13-15-9-8-14-5-1-2-7-17(14)25-15/h1-2,5,7,15,20,23H,3-4,6,8-13H2
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60n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359434
PNG
(CHEMBL1926753)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C\CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3+
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63n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359420
PNG
(CHEMBL1926744)
Show SMILES Oc1c2CCCCn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H29N3O3/c25-20-18-8-3-5-13-23(18)21(26)24(20)14-6-4-12-22-15-17-11-10-16-7-1-2-9-19(16)27-17/h1-2,7,9,17,22,25H,3-6,8,10-15H2
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66n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359421
PNG
(CHEMBL1926735)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-2,6,8,16,21,24H,3-5,7,9-14H2/t16-/m0/s1
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68n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359424
PNG
(CHEMBL1926731)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O2/c26-21-20-8-5-15-24(20)22(27)25(21)14-4-3-12-23-13-11-17-9-10-18-6-1-2-7-19(18)16-17/h1-2,6-7,9-10,16,23,26H,3-5,8,11-15H2
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74n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359428
PNG
(CHEMBL1926759)
Show SMILES Oc1csc(=O)n1CCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C19H26N2O3S/c22-18-14-25-19(23)21(18)12-6-2-1-5-11-20-13-16-10-9-15-7-3-4-8-17(15)24-16/h3-4,7-8,14,16,20,22H,1-2,5-6,9-13H2
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87n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359435
PNG
(CHEMBL1926752)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C24H35N3O3/c28-23-21-11-9-17-26(21)24(29)27(23)16-8-4-2-1-3-7-15-25-18-20-14-13-19-10-5-6-12-22(19)30-20/h5-6,10,12,20,25,28H,1-4,7-9,11,13-18H2
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87.6n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359437
PNG
(CHEMBL1926686)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H29N3O3/c25-20-18-8-6-14-23(18)21(26)24(20)13-5-1-4-12-22-15-17-11-10-16-7-2-3-9-19(16)27-17/h2-3,7,9,17,22,25H,1,4-6,8,10-15H2
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94n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50359433
PNG
(CHEMBL1926754)
Show SMILES Oc1c2CCCn2c(=O)n1C\C=C/CNCC1CCc2ccccc2O1
Show InChI InChI=1S/C20H25N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-4,6,8,16,21,24H,5,7,9-14H2/b4-3-
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114n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359429
PNG
(CHEMBL1926758)
Show SMILES Oc1csc(=O)n1CCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C18H24N2O3S/c21-17-13-24-18(22)20(17)11-5-1-4-10-19-12-15-9-8-14-6-2-3-7-16(14)23-15/h2-3,6-7,13,15,19,21H,1,4-5,8-12H2
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123n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50359424
PNG
(CHEMBL1926731)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O2/c26-21-20-8-5-15-24(20)22(27)25(21)14-4-3-12-23-13-11-17-9-10-18-6-1-2-7-19(18)16-17/h1-2,6-7,9-10,16,23,26H,3-5,8,11-15H2
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157n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley albinus rat frontal cortex membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359439
PNG
(CHEMBL1926749)
Show SMILES Oc1csc(=O)n1CCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C17H22N2O3S/c20-16-12-23-17(21)19(16)10-4-3-9-18-11-14-8-7-13-5-1-2-6-15(13)22-14/h1-2,5-6,12,14,18,20H,3-4,7-11H2
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169n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359421
PNG
(CHEMBL1926735)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNC[C@@H]1CCc2ccccc2O1 |r|
Show InChI InChI=1S/C20H27N3O3/c24-19-17-7-5-13-22(17)20(25)23(19)12-4-3-11-21-14-16-10-9-15-6-1-2-8-18(15)26-16/h1-2,6,8,16,21,24H,3-5,7,9-14H2/t16-/m0/s1
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299n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50359427
PNG
(CHEMBL1926760)
Show SMILES Oc1csc(=O)n1CCCCCCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C21H30N2O3S/c24-20-16-27-21(25)23(20)14-8-4-2-1-3-7-13-22-15-18-12-11-17-9-5-6-10-19(17)26-18/h5-6,9-10,16,18,22,24H,1-4,7-8,11-15H2
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410n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley albinus rat striatal membranes after 15 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359419
PNG
(CHEMBL1926745)
Show SMILES O=C1CN(CCCCNCC2CCc3ccccc3O2)C(=O)C2CCCN12
Show InChI InChI=1S/C21H29N3O3/c25-20-15-23(21(26)18-7-5-13-24(18)20)12-4-3-11-22-14-17-10-9-16-6-1-2-8-19(16)27-17/h1-2,6,8,17-18,22H,3-5,7,9-15H2
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418n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Rattus norvegicus (rat))
BDBM50359417
PNG
(CHEMBL1926747)
Show SMILES Oc1c2CCSn2c(=O)n1CCCCNCC1CCc2ccccc2O1
Show InChI InChI=1S/C19H25N3O3S/c23-18-16-9-12-26-22(16)19(24)21(18)11-4-3-10-20-13-15-8-7-14-5-1-2-6-17(14)25-15/h1-2,5-6,15,20,23H,3-4,7-13H2
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493n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hypothalamic membranes after 120 mins


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50221858
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-12-[(fura...)
Show SMILES CCCCCO[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1 |TLB:35:34:27.17.18:12.13|
Show InChI InChI=1S/C32H42O11/c1-7-8-9-14-39-23-18-30(5,36)32-25(42-28(35)22-13-11-16-38-22)20(29(3,4)43-32)17-24(31(32,6)26(23)40-19(2)33)41-27(34)21-12-10-15-37-21/h10-13,15-16,20,23-26,36H,7-9,14,17-18H2,1-6H3/t20-,23+,24+,25-,26+,30-,31-,32+/m1/s1
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570n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50359425
PNG
(CHEMBL1926730)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCc1ccc2ccccc2c1
Show InChI InChI=1S/C21H25N3O2/c25-20-19-8-5-13-23(19)21(26)24(20)12-4-3-11-22-15-16-9-10-17-6-1-2-7-18(17)14-16/h1-2,6-7,9-10,14,22,25H,3-5,8,11-13,15H2
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572n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in Sprague-Dawley albinus rat striatal membranes after 30 mins by scintillation counting


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50221830
PNG
(CHEMBL394980 | nicotinic acid (1S,2R,4S,5R,6R,7S,9...)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OCc4ccccc4)[C@]1(OC3(C)C)[C@](C)(O)C[C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)OCc1ccccc1 |THB:10:9:5.7.6:19.20|
Show InChI InChI=1S/C39H45NO10/c1-25(41)47-24-38-32(45-22-27-13-8-6-9-14-27)19-30-33(46-23-28-15-10-7-11-16-28)39(38,50-36(30,3)4)37(5,44)20-31(34(38)48-26(2)42)49-35(43)29-17-12-18-40-21-29/h6-18,21,30-34,44H,19-20,22-24H2,1-5H3/t30-,31+,32+,33-,34+,37-,38-,39+/m1/s1
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580n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50359424
PNG
(CHEMBL1926731)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCNCCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H27N3O2/c26-21-20-8-5-15-24(20)22(27)25(21)14-4-3-12-23-13-11-17-9-10-18-6-1-2-7-19(18)16-17/h1-2,6-7,9-10,16,23,26H,3-5,8,11-15H2
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594n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in Sprague-Dawley albinus rat striatal membranes after 30 mins by scintillation counting


J Med Chem 54: 7986-99 (2011)


Article DOI: 10.1021/jm2007886
BindingDB Entry DOI: 10.7270/Q2R49R61
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50221873
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5,12-bis(acetyloxy)-6-[...)
Show SMILES C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C)OC(=O)c1ccccc1 |r,THB:28:27:25.24.18:33.34|
Show InChI InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1
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630n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
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