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2 similar compounds to monomer 50083091

Compile data set for download or QSAR
Wt: 478.6
BDBM50083132
Wt: 492.6
BDBM50083147

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50083132,50083147   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083132
PNG
(CHEMBL143952 | N-{1-[3-(5-[1,2,4]Triazol-4-yl-1H-i...)
Show SMILES O=S(=O)(NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N6O2S/c32-34(33,23-6-2-1-3-7-23)29-16-20-10-13-30(14-11-20)12-4-5-21-17-26-25-9-8-22(15-24(21)25)31-18-27-28-19-31/h1-3,6-9,15,17-20,26,29H,4-5,10-14,16H2
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n/an/a 6.20n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D 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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083132
PNG
(CHEMBL143952 | N-{1-[3-(5-[1,2,4]Triazol-4-yl-1H-i...)
Show SMILES O=S(=O)(NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N6O2S/c32-34(33,23-6-2-1-3-7-23)29-16-20-10-13-30(14-11-20)12-4-5-21-17-26-25-9-8-22(15-24(21)25)31-18-27-28-19-31/h1-3,6-9,15,17-20,26,29H,4-5,10-14,16H2
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PubMed
n/an/an/an/a 12n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor


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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083132
PNG
(CHEMBL143952 | N-{1-[3-(5-[1,2,4]Triazol-4-yl-1H-i...)
Show SMILES O=S(=O)(NCC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H30N6O2S/c32-34(33,23-6-2-1-3-7-23)29-16-20-10-13-30(14-11-20)12-4-5-21-17-26-25-9-8-22(15-24(21)25)31-18-27-28-19-31/h1-3,6-9,15,17-20,26,29H,4-5,10-14,16H2
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n/an/a 60n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B 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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083147
PNG
(CHEMBL145982 | N-Methyl-N-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H32N6O2S/c1-30(35(33,34)24-7-3-2-4-8-24)18-21-11-14-31(15-12-21)13-5-6-22-17-27-26-10-9-23(16-25(22)26)32-19-28-29-20-32/h2-4,7-10,16-17,19-21,27H,5-6,11-15,18H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned human 5-hydroxytryptamine 1D 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
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083147
PNG
(CHEMBL145982 | N-Methyl-N-{1-[3-(5-[1,2,4]triazol-...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H32N6O2S/c1-30(35(33,34)24-7-3-2-4-8-24)18-21-11-14-31(15-12-21)13-5-6-22-17-27-26-10-9-23(16-25(22)26)32-19-28-29-20-32/h2-4,7-10,16-17,19-21,27H,5-6,11-15,18H2,1H3
PDB

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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to cloned 5-hydroxytryptamine 1B 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