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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50029396   
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


(Rattus norvegicus (rat))
BDBM50284085
PNG
((5S,6R)-6-Dipropylamino-5-methyl-5,6,7,8-tetrahydr...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(cccc2[C@@H]1C)C#N
Show InChI InChI=1S/C18H26N2/c1-4-11-20(12-5-2)18-10-9-17-15(13-19)7-6-8-16(17)14(18)3/h6-8,14,18H,4-5,9-12H2,1-3H3/t14-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
5.04E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured at 5-HT1A receptor in rat striatal membranes using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 4: 689-694 (1994)


Article DOI: 10.1016/S0960-894X(01)80181-5
BindingDB Entry DOI: 10.7270/Q2SX6D5J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50284087
PNG
((5S,6R)-5-Methyl-6-propylamino-5,6,7,8-tetrahydro-...)
Show SMILES CCCN[C@@H]1CCc2c(cccc2C(N)=O)[C@@H]1C
Show InChI InChI=1S/C15H22N2O/c1-3-9-17-14-8-7-12-11(10(14)2)5-4-6-13(12)15(16)18/h4-6,10,14,17H,3,7-9H2,1-2H3,(H2,16,18)/t10-,14+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
6.72E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured at 5-HT1A receptor in rat striatal membranes using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 4: 689-694 (1994)


Article DOI: 10.1016/S0960-894X(01)80181-5
BindingDB Entry DOI: 10.7270/Q2SX6D5J
More data for this
Ligand-Target Pair