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Compile Data Set for Download or QSAR

Found 489 hits with Last Name = 'lin' and Initial = 'll'   
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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1.26n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50130279
PNG
((R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidi...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
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3.16n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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3.16n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM85608
PNG
((R)-1-(2-(1-(3,4-Dichloro-benzene sulfonyl)-pyrrol...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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5.01n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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6.31n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM85609
PNG
((R)-1-(2-(1-(3-methoxy-benzenesulfonyl)-pyrrolidin...)
Show SMILES [#6]-[#8]-c1cccc(c1)[S;v6](=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C19H30N2O3S/c1-16-8-12-20(13-9-16)14-10-17-5-4-11-21(17)25(22,23)19-7-3-6-18(15-19)24-2/h3,6-7,15-17H,4-5,8-14H2,1-2H3/t17-/m1/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM85612
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pipe...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
Show InChI InChI=1S/C24H33NO2S/c1-19-13-16-25(17-14-19)18-15-21-8-3-5-11-23(21)28(26,27)24-12-6-9-20-7-2-4-10-22(20)24/h2,4,6-7,9-10,12,19,21,23H,3,5,8,11,13-18H2,1H3/t21-,23?/m1/s1
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15.8n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50098550
PNG
(3,N-Dimethyl-N-[(R)-1-methyl-3-(4-methyl-piperidin...)
Show SMILES C[C@H](CCN1CCC(C)CC1)N(C)S(=O)(=O)c1cccc(C)c1
Show InChI InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1
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31.6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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31.6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM85613
PNG
((RS)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pip...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
Show InChI InChI=1S/C24H33NO2S/c1-19-13-16-25(17-14-19)18-15-21-8-3-5-11-23(21)28(26,27)24-12-6-9-20-7-2-4-10-22(20)24/h2,4,6-7,9-10,12,19,21,23H,3,5,8,11,13-18H2,1H3
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39.8n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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63.1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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63.1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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251n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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316n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM82479
PNG
(CAS_132539-06-1 | NSC_4585 | OLANZAPINE)
Show SMILES CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
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316n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM85611
PNG
((S)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pipe...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
Show InChI InChI=1S/C24H33NO2S/c1-19-13-16-25(17-14-19)18-15-21-8-3-5-11-23(21)28(26,27)24-12-6-9-20-7-2-4-10-22(20)24/h2,4,6-7,9-10,12,19,21,23H,3,5,8,11,13-18H2,1H3/t21-,23?/m0/s1
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398n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50130289
PNG
((S)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m0/s1
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398n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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398n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85612
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pipe...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
Show InChI InChI=1S/C24H33NO2S/c1-19-13-16-25(17-14-19)18-15-21-8-3-5-11-23(21)28(26,27)24-12-6-9-20-7-2-4-10-22(20)24/h2,4,6-7,9-10,12,19,21,23H,3,5,8,11,13-18H2,1H3/t21-,23?/m1/s1
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398n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM85612
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pipe...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
Show InChI InChI=1S/C24H33NO2S/c1-19-13-16-25(17-14-19)18-15-21-8-3-5-11-23(21)28(26,27)24-12-6-9-20-7-2-4-10-22(20)24/h2,4,6-7,9-10,12,19,21,23H,3,5,8,11,13-18H2,1H3/t21-,23?/m1/s1
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501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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631n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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631n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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631n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM85608
PNG
((R)-1-(2-(1-(3,4-Dichloro-benzene sulfonyl)-pyrrol...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
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631n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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794n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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794n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 124: 1300-6 (1998)


Article DOI: 10.1038/sj.bjp.0701946
BindingDB Entry DOI: 10.7270/Q269724V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85608
PNG
((R)-1-(2-(1-(3,4-Dichloro-benzene sulfonyl)-pyrrol...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM85608
PNG
((R)-1-(2-(1-(3,4-Dichloro-benzene sulfonyl)-pyrrol...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50130279
PNG
((R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidi...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85608
PNG
((R)-1-(2-(1-(3,4-Dichloro-benzene sulfonyl)-pyrrol...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM85612
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pipe...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
Show InChI InChI=1S/C24H33NO2S/c1-19-13-16-25(17-14-19)18-15-21-8-3-5-11-23(21)28(26,27)24-12-6-9-20-7-2-4-10-22(20)24/h2,4,6-7,9-10,12,19,21,23H,3,5,8,11,13-18H2,1H3/t21-,23?/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85612
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pipe...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2[S;v6](=O)(=O)c2cccc3ccccc23)-[#6]-[#6]-1
Show InChI InChI=1S/C24H33NO2S/c1-19-13-16-25(17-14-19)18-15-21-8-3-5-11-23(21)28(26,27)24-12-6-9-20-7-2-4-10-22(20)24/h2,4,6-7,9-10,12,19,21,23H,3,5,8,11,13-18H2,1H3/t21-,23?/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85608
PNG
((R)-1-(2-(1-(3,4-Dichloro-benzene sulfonyl)-pyrrol...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85608
PNG
((R)-1-(2-(1-(3,4-Dichloro-benzene sulfonyl)-pyrrol...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2ccc(Cl)c(Cl)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50130279
PNG
((R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidi...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50130278
PNG
((R)-4-Methyl-1-(2-(1-(naphthalene-1-sulfonyl)-pyrr...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1
Show InChI InChI=1S/C22H30N2O2S/c1-18-11-15-23(16-12-18)17-13-20-8-5-14-24(20)27(25,26)22-10-4-7-19-6-2-3-9-21(19)22/h2-4,6-7,9-10,18,20H,5,8,11-17H2,1H3/t20-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130279
PNG
((R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidi...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r|
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50130279
PNG
((R)-4-Methyl-1-(2-(1-toluene-3-sulfonyl)-pyrrolidi...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C19H30N2O2S/c1-16-8-12-20(13-9-16)14-10-18-6-4-11-21(18)24(22,23)19-7-3-5-17(2)15-19/h3,5,7,15-16,18H,4,6,8-14H2,1-2H3/t18-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM85610
PNG
((R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6]-[#7]-2[S;v6](=O)(=O)c2cccc(Br)c2)-[#6]-[#6]-1
Show InChI InChI=1S/C18H27BrN2O2S/c1-15-7-11-20(12-8-15)13-9-17-5-3-10-21(17)24(22,23)18-6-2-4-16(19)14-18/h2,4,6,14-15,17H,3,5,7-13H2,1H3/t17-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




J Med Chem 43: 342-5 (2000)


BindingDB Entry DOI: 10.7270/Q28S4NGP
More data for this
Ligand-Target Pair
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