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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'kaumann' and Initial = 'aj'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0500n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0500n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327858
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-iodo-2,3-d...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27IN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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0.0500n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50327858
PNG
((1-Butylpiperidin-4-yl)methyl 8-amino-7-iodo-2,3-d...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(I)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27IN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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0.0790n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0790n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85778
PNG
(CAS_135938-17-9 | SB203186)
Show SMILES O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2
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1.30n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85778
PNG
(CAS_135938-17-9 | SB203186)
Show SMILES O=C(OCCN1CCCCC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2
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2n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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39.8n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50005836
PNG
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)
Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)
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50.1n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
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79.4n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(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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100n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
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158n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(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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159n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM82422
PNG
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)
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200n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM82422
PNG
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)
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251n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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251n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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316n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Oslo

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 146-60 (2001)


Article DOI: 10.1007/s002100000299
BindingDB Entry DOI: 10.7270/Q2222SBP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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n/an/an/a 1.58E+4n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1C receptor in piglet choroid plexus using [3H]5-HT


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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n/an/an/a 5.01E+4n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1C receptor in piglet choroid plexus using [3H]5-HT


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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n/an/an/a 3.16E+3n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor in piglet hippocampus using [3H]8-OH-DPAT


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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n/an/an/a>5.01E+3n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- ketanserin


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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n/an/an/a 25n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1D receptor in piglet caudate using [3H]5-HT


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
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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n/an/an/a 32n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1C receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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n/an/an/a 631n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1C receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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n/an/an/a 3.20n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor


(Sus scrofa)
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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n/an/an/a 10n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1D receptor in piglet caudate using [3H]5-HT


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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n/an/an/a 501n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor in piglet hippocampus using [3H]8-OH-DPAT


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(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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n/an/an/a 3.16E+3n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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n/an/an/a 1.60n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1D receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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n/an/an/a 2.00E+4n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005835
PNG
((3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methy...)
Show SMILES CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- ketanserin


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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n/an/an/a 0.316n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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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n/an/an/a 13n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1D receptor was determined


J Med Chem 36: 1918-9 (1993)


Article DOI: 10.1021/jm00065a015
BindingDB Entry DOI: 10.7270/Q2JS9SNZ
More data for this
Ligand-Target Pair