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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50008715   
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


(Mus musculus (Mouse))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding (Experi...


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))
BDBM50076429
PNG
(4-Fluoro-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)c(C)c2)c2ccccn2)CC1
Show InChI InChI=1S/C26H29FN4O2/c1-20-19-21(10-11-22(20)27)26(32)31(25-9-5-6-12-28-25)18-15-29-13-16-30(17-14-29)23-7-3-4-8-24(23)33-2/h3-12,19H,13-18H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Receptor-linked G protein activation at 5-hydroxytryptamine receptor was determined by measuring the stimulation of [35S]-GTP-gammaS, binding (Experi...


J Med Chem 42: 1576-86 (1999)


Article DOI: 10.1021/jm980456f
BindingDB Entry DOI: 10.7270/Q23R0S2J
More data for this
Ligand-Target Pair