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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50060429'   
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 (5-HT) receptor


(Rattus norvegicus (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 540n/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 7 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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
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 human 5-hydroxytryptamine 1F 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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
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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Article
PubMed
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 human 5-hydroxytryptamine 5A receptor 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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
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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PubMed
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 human 5-hydroxytryptamine 1E 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