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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P31388   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus-Rattus norvegicus (rat)-RAT-Ratt...)
BDBM50025223
PNG
(CHEMBL343529)
Show SMILES COc1cccc2[nH]cc(CCN)c12
Show InChI InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-11(10)8(5-6-12)7-13-9/h2-4,7,13H,5-6,12H2,1H3
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n/an/a 220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 27: 41-5 (1984)


Article DOI: 10.1021/jm00367a008
BindingDB Entry DOI: 10.7270/Q2F76BJN
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus-Rattus norvegicus (rat)-RAT-Ratt...)
BDBM50028124
PNG
(2-(6-Methoxy-1H-indol-3-yl)-ethylamine | 2-(6-meth...)
Show SMILES COc1ccc2c(CCN)c[nH]c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
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n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 27: 41-5 (1984)


Article DOI: 10.1021/jm00367a008
BindingDB Entry DOI: 10.7270/Q2F76BJN
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50150673
PNG
(CHEMBL363466 | [(S)-5-(2,6-Dimethoxy-phenyl)-1,2,3...)
Show SMILES COc1cccc(OC)c1-c1cccc2C[C@H](CCc12)N(C)C
Show InChI InChI=1S/C20H25NO2/c1-21(2)15-11-12-16-14(13-15)7-5-8-17(16)20-18(22-3)9-6-10-19(20)23-4/h5-10,15H,11-13H2,1-4H3/t15-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT binding to rat 5-HT6 receptor


J Med Chem 47: 3927-30 (2004)


Article DOI: 10.1021/jm0498102
BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus-Rattus norvegicus (rat)-RAT-Ratt...)
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at serotonin 5-HT1-type site receptor in rat cortex by displacing [3H]5-HT


J Med Chem 29: 1476-82 (1986)


Article DOI: 10.1021/jm00158a026
BindingDB Entry DOI: 10.7270/Q2319WGB
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50151982
PNG
(5-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1...)
Show SMILES NC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of rat hydroxytryptamine 6 receptor


J Med Chem 47: 4684-92 (2004)


Article DOI: 10.1021/jm040793q
BindingDB Entry DOI: 10.7270/Q2513XPS
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50060429
PNG
((R)-2-(4-Fluoro-phenyl)-2-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN6O/c27-21-5-3-19(4-6-21)26(16-34)31-22-9-12-32(13-10-22)11-1-2-20-15-28-25-8-7-23(14-24(20)25)33-17-29-30-18-33/h3-8,14-15,17-18,22,26,28,31,34H,1-2,9-13,16H2/t26-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-5-HT binding to cloned rat 5-hydroxytryptamine 6 receptor stably expressed in CHO cells


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair