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Compile Data Set for Download or QSAR

Found 864 hits with Last Name = 'vomero' and Initial = 's'   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166996
PNG
(2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-c...)
Show SMILES CCCc1c(nc2ccccc2c1C(=O)OCC)N1CCN(C)CC1
Show InChI InChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3
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0.0800n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167002
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCCN(CCC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H32N4O/c1-5-11-26(12-6-2)22(27)20-17(3)21(25-15-13-24(4)14-16-25)23-19-10-8-7-9-18(19)20/h7-10H,5-6,11-16H2,1-4H3
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0.110n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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0.120n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin transporter was determined in rat forebrain membrane


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50063266
PNG
(6-Nitro-2-piperazin-1-yl-quinoline | 6-nitroquipaz...)
Show SMILES [O-][N+](=O)c1ccc2nc(ccc2c1)N1CCNCC1
Show InChI InChI=1S/C13H14N4O2/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16/h1-4,9,14H,5-8H2
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0.120n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to displace [3H]paroxetine bound to Serotonin transporter receptor in rat forebrain


J Med Chem 41: 728-41 (1998)


Article DOI: 10.1021/jm970645i
BindingDB Entry DOI: 10.7270/Q2QV3N6F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against Opioid receptor delta 1 from a native receptor in guinea pig


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50027063
PNG
(CHEMBL2111838)
Show SMILES CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15|
Show InChI InChI=1/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/s2
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0.170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167013
PNG
(4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-c...)
Show SMILES CCOC(=O)c1c(C)c2ccccc2nc1N1CCN(C)CC1
Show InChI InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)14-7-5-6-8-15(14)19-17(16)21-11-9-20(3)10-12-21/h5-8H,4,9-12H2,1-3H3
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0.170n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50027063
PNG
(CHEMBL2111838)
Show SMILES CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15|
Show InChI InChI=1/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/s2
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0.170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding constant towards human Opioid receptor kappa 1 was reported


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027064
PNG
(CHEMBL2111836)
Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15|
Show InChI InChI=1/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/s2
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0.190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167015
PNG
(3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...)
Show SMILES CCOC(=O)c1c(CC)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C19H25N3O2/c1-4-14-17(19(23)24-5-2)15-8-6-7-9-16(15)20-18(14)22-12-10-21(3)11-13-22/h6-9H,4-5,10-13H2,1-3H3
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0.210n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50063263
PNG
(6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor (5-HT 3 receptor) of rat cortex and hippocampus tissue


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50063263
PNG
(6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50063263
PNG
(6-(4-Methyl-piperazin-1-yl)-7,8,9,10-tetrahydro-ph...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCCc12
Show InChI InChI=1S/C18H23N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h4-5,7,9H,2-3,6,8,10-13H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane


J Med Chem 41: 728-41 (1998)


Article DOI: 10.1021/jm970645i
BindingDB Entry DOI: 10.7270/Q2QV3N6F
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167011
PNG
(4-(4-Methyl-piperazin-1-yl)-2,3-dihydro-1H-cyclope...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c2CCCc12
Show InChI InChI=1S/C17H21N3/c1-19-9-11-20(12-10-19)17-15-7-4-6-13(15)14-5-2-3-8-16(14)18-17/h2-3,5,8H,4,6-7,9-12H2,1H3
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0.240n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131967
PNG
(CHEMBL123898 | N-[2-(5-Phenyl-2,3-dihydro-1H-benzo...)
Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 |t:7|
Show InChI InChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28)
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0.25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131967
PNG
(CHEMBL123898 | N-[2-(5-Phenyl-2,3-dihydro-1H-benzo...)
Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1 |t:7|
Show InChI InChI=1S/C24H23N3O/c28-24(19-11-5-2-6-12-19)25-16-15-20-17-26-23(18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20/h1-14,20,27H,15-17H2,(H,25,28)
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0.25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131972
PNG
(4-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...)
Show SMILES Fc1ccc(cc1)C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15|
Show InChI InChI=1S/C24H22FN3O/c25-19-12-10-18(11-13-19)24(29)26-15-14-20-16-27-23(17-6-2-1-3-7-17)21-8-4-5-9-22(21)28-20/h1-13,20,28H,14-16H2,(H,26,29)
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0.280n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131972
PNG
(4-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...)
Show SMILES Fc1ccc(cc1)C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15|
Show InChI InChI=1S/C24H22FN3O/c25-19-12-10-18(11-13-19)24(29)26-15-14-20-16-27-23(17-6-2-1-3-7-17)21-8-4-5-9-22(21)28-20/h1-13,20,28H,14-16H2,(H,26,29)
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0.280n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding constant towards human Opioid receptor kappa 1 was reported


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50049802
PNG
(4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50049802
PNG
(4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
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0.300n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3|
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+
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0.350n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane


J Med Chem 41: 728-41 (1998)


Article DOI: 10.1021/jm970645i
BindingDB Entry DOI: 10.7270/Q2QV3N6F
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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0.360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50049807
PNG
(2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccccc2F)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-19(15-16-27-25(30)20-11-5-7-13-22(20)26)17-28-24(18-9-3-2-4-10-18)21-12-6-8-14-23(21)29/h2-14,19H,15-17H2,1H3,(H,27,30)
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0.360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167014
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCN(CC)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C20H28N4O/c1-5-23(6-2)20(25)18-15(3)19(24-13-11-22(4)12-14-24)21-17-10-8-7-9-16(17)18/h7-10H,5-6,11-14H2,1-4H3
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0.370n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131968
PNG
(CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...)
Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)
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0.370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50076415
PNG
(2-[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(-c2ccccc2)c1CCO
Show InChI InChI=1S/C22H25N3O/c1-24-12-14-25(15-13-24)22-19(11-16-26)21(17-7-3-2-4-8-17)18-9-5-6-10-20(18)23-22/h2-10,26H,11-16H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167004
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N4O/c1-25-12-14-27(15-13-25)22-16-20(19-10-6-7-11-21(19)24-22)23(28)26(2)17-18-8-4-3-5-9-18/h3-11,16H,12-15,17H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50027064
PNG
(CHEMBL2111836)
Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15|
Show InChI InChI=1/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/s2
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0.430n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167003
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CCOC(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)17(21-11-9-20(3)10-12-21)19-15-8-6-5-7-14(15)16/h5-8H,4,9-12H2,1-3H3
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0.430n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50027064
PNG
(CHEMBL2111836)
Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15|
Show InChI InChI=1/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/s2
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0.430n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding constant towards human Opioid receptor kappa 1 was reported


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131969
PNG
(CHEMBL126688 | Thiophene-2-carboxylic acid [2-(5-p...)
Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7|
Show InChI InChI=1S/C22H21N3OS/c26-22(20-11-6-14-27-20)23-13-12-17-15-24-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25-17/h1-11,14,17,25H,12-13,15H2,(H,23,26)
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0.450n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166997
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CN(CC#C)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C20H24N4O/c1-5-10-23(4)20(25)18-15(2)19(24-13-11-22(3)12-14-24)21-17-9-7-6-8-16(17)18/h1,6-9H,10-14H2,2-4H3
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0.450n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131969
PNG
(CHEMBL126688 | Thiophene-2-carboxylic acid [2-(5-p...)
Show SMILES O=C(NCCC1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 |t:7|
Show InChI InChI=1S/C22H21N3OS/c26-22(20-11-6-14-27-20)23-13-12-17-15-24-21(16-7-2-1-3-8-16)18-9-4-5-10-19(18)25-17/h1-11,14,17,25H,12-13,15H2,(H,23,26)
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0.450n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding constant towards human Opioid receptor kappa 1 was reported


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131973
PNG
(CHEMBL338391 | N-[2-(1-Methyl-5-phenyl-2,3-dihydro...)
Show SMILES CN1C(CCNC(=O)c2ccc(cc2)[N+]([O-])=O)CN=C(c2ccccc2)c2ccccc12 |t:19|
Show InChI InChI=1S/C25H24N4O3/c1-28-21(15-16-26-25(30)19-11-13-20(14-12-19)29(31)32)17-27-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)28/h2-14,21H,15-17H2,1H3,(H,26,30)
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0.470n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131973
PNG
(CHEMBL338391 | N-[2-(1-Methyl-5-phenyl-2,3-dihydro...)
Show SMILES CN1C(CCNC(=O)c2ccc(cc2)[N+]([O-])=O)CN=C(c2ccccc2)c2ccccc12 |t:19|
Show InChI InChI=1S/C25H24N4O3/c1-28-21(15-16-26-25(30)19-11-13-20(14-12-19)29(31)32)17-27-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)28/h2-14,21H,15-17H2,1H3,(H,26,30)
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0.480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding constant towards human Opioid receptor kappa 1 was reported


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049806
PNG
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)
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0.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049806
PNG
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)
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0.5n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167016
PNG
(3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-ca...)
Show SMILES CCN(CC)C(=O)c1c(CC)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C21H30N4O/c1-5-16-19(21(26)24(6-2)7-3)17-10-8-9-11-18(17)22-20(16)25-14-12-23(4)13-15-25/h8-11H,5-7,12-15H2,1-4H3
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0.510n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131970
PNG
(2-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...)
Show SMILES Fc1ccccc1C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15|
Show InChI InChI=1S/C24H22FN3O/c25-21-12-6-4-10-19(21)24(29)26-15-14-18-16-27-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-18/h1-13,18,28H,14-16H2,(H,26,29)
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0.530n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50131970
PNG
(2-Fluoro-N-[2-(5-phenyl-2,3-dihydro-1H-benzo[e][1,...)
Show SMILES Fc1ccccc1C(=O)NCCC1CN=C(c2ccccc2)c2ccccc2N1 |t:15|
Show InChI InChI=1S/C24H22FN3O/c25-21-12-6-4-10-19(21)24(29)26-15-14-18-16-27-23(17-8-2-1-3-9-17)20-11-5-7-13-22(20)28-18/h1-13,18,28H,14-16H2,(H,26,29)
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0.530n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167005
PNG
(3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-c...)
Show SMILES CN(Cc1ccccc1)C(=O)c1c(C)c(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H28N4O/c1-18-22(24(29)27(3)17-19-9-5-4-6-10-19)20-11-7-8-12-21(20)25-23(18)28-15-13-26(2)14-16-28/h4-12H,13-17H2,1-3H3
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50049808
PNG
(CHEMBL127968 | N-[2-(7-Chloro-1-methyl-5-phenyl-2,...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:17|
Show InChI InChI=1S/C25H23ClFN3O/c1-30-21(13-14-28-25(31)18-7-10-20(27)11-8-18)16-29-24(17-5-3-2-4-6-17)22-15-19(26)9-12-23(22)30/h2-12,15,21H,13-14,16H2,1H3,(H,28,31)
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0.550n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 from human cloned receptor


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049802
PNG
(4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
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0.560n/an/an/an/an/an/an/an/a



Universitá di Siena

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 of guinea pig using [3H]-U-65,693 as radioligand


J Med Chem 39: 860-72 (1996)


Article DOI: 10.1021/jm950423p
BindingDB Entry DOI: 10.7270/Q2222SVD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50049802
PNG
(4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-be...)
Show SMILES CN1C(CCNC(=O)c2ccc(F)cc2)CN=C(c2ccccc2)c2ccccc12 |t:17|
Show InChI InChI=1S/C25H24FN3O/c1-29-21(15-16-27-25(30)19-11-13-20(26)14-12-19)17-28-24(18-7-3-2-4-8-18)22-9-5-6-10-23(22)29/h2-14,21H,15-17H2,1H3,(H,27,30)
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0.560n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50166991
PNG
(3-Methyl-2-piperazin-1-yl-quinoline-4-carboxylic a...)
Show SMILES CCOC(=O)c1c(C)c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)15-12(2)16(20-10-8-18-9-11-20)19-14-7-5-4-6-13(14)15/h4-7,18H,3,8-11H2,1-2H3
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0.560n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50049806
PNG
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)
Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15|
Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)
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0.580n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity determined against Opioid receptor kappa 1 from a native receptor in guinea pig


J Med Chem 46: 3853-64 (2003)


Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50076416
PNG
(2-[4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2c(c1CCO)-c1ccccc1F |(19.39,-9.64,;18.06,-8.87,;18.06,-7.32,;16.71,-6.51,;15.38,-7.32,;15.38,-8.87,;16.72,-9.64,;14.04,-6.56,;12.7,-7.35,;11.36,-6.56,;10.01,-7.35,;8.68,-6.58,;8.68,-5.02,;10.01,-4.25,;11.36,-5.02,;12.69,-4.24,;14.02,-5,;15.35,-4.23,;16.7,-4.98,;18.03,-4.21,;12.67,-2.71,;14,-1.94,;14,-.4,;12.66,.37,;11.32,-.43,;11.34,-1.96,;10.01,-2.75,)|
Show InChI InChI=1S/C22H24FN3O/c1-25-11-13-26(14-12-25)22-18(10-15-27)21(16-6-2-4-8-19(16)23)17-7-3-5-9-20(17)24-22/h2-9,27H,10-15H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor (5-HT 3 receptor) of rat cortex and hippocampus tissue


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50076401
PNG
(CHEMBL41511 | [2-(4-Methyl-piperazin-1-yl)-4-pheny...)
Show SMILES CCOC(=O)Cc1c(nc2ccccc2c1-c1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N3O2/c1-3-29-22(28)17-20-23(18-9-5-4-6-10-18)19-11-7-8-12-21(19)25-24(20)27-15-13-26(2)14-16-27/h4-12H,3,13-17H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor (5-HT 3 receptor) of rat cortex and hippocampus tissue


J Med Chem 42: 1556-75 (1999)


Article DOI: 10.1021/jm981112s
BindingDB Entry DOI: 10.7270/Q2D50NPW
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50167000
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic...)
Show SMILES CCCN(CCC)C(=O)c1cc(nc2ccccc12)N1CCN(C)CC1
Show InChI InChI=1S/C21H30N4O/c1-4-10-25(11-5-2)21(26)18-16-20(24-14-12-23(3)13-15-24)22-19-9-7-6-8-17(18)19/h6-9,16H,4-5,10-15H2,1-3H3
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0.680n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]granisetron from 5-hydroxytryptamine 3 receptor of rat cortical membrane


J Med Chem 48: 3564-75 (2005)


Article DOI: 10.1021/jm0493461
BindingDB Entry DOI: 10.7270/Q2HH6KTH
More data for this
Ligand-Target Pair
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