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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50138478   
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 1A


(Homo sapiens (Human))
BDBM50138478
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14|
Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.810n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138478
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14|
Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
42n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair