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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM85165'   
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))
BDBM85165
PNG
(4-(3-CHLOROPHENYL)-ALPHA-(DIPHENYLMETHYL)-1-PIPERA...)
Show SMILES OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2
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MCE
PC cid
PC sid
UniChem
Article
PubMed
7.94n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 356: 312-20 (1997)


Article DOI: 10.1007/pl00005056
BindingDB Entry DOI: 10.7270/Q2KW5DKB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM85165
PNG
(4-(3-CHLOROPHENYL)-ALPHA-(DIPHENYLMETHYL)-1-PIPERA...)
Show SMILES OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
12.6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 356: 312-20 (1997)


Article DOI: 10.1007/pl00005056
BindingDB Entry DOI: 10.7270/Q2KW5DKB
More data for this
Ligand-Target Pair