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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 3428,49000023,49000024,49000025,49000028,49000029   
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 1D


(Homo sapiens (human))
BDBM50033383
PNG
((S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)m...)
Show SMILES CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
Show InChI InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
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Article
PubMed
n/an/an/a 1.5n/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor beta using rabbit saphenous vein assay.


J Med Chem 38: 3566-80 (1995)


Article DOI: 10.1021/jm00018a016
BindingDB Entry DOI: 10.7270/Q2GF0SJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50423297
PNG
(CHEMBL251541 | Obelin)
Show SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)Cc12
Show InChI InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1
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n/an/an/a 112n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1D receptor


Bioorg Med Chem Lett 17: 3983-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.086
BindingDB Entry DOI: 10.7270/Q2XP7675
More data for this
Ligand-Target Pair