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BDBM50047145 (Recemic)5-Dipropylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-ij]quinoline-2-thione::CHEMBL281248

SMILES: CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(C1)c23

InChI Key: InChIKey=WEUPAXGYFOUDLZ-CYBMUJFWSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50047145   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50047145
PNG
((Recemic)5-Dipropylamino-5,6-dihydro-1H,4H-imidazo...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(C1)c23
Show InChI InChI=1S/C16H23N3S/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)/t13-/m1/s1
PDB

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PC cid
PC sid
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Similars

PubMed
0.600n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligand


J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50047145
PNG
((Recemic)5-Dipropylamino-5,6-dihydro-1H,4H-imidazo...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(C1)c23
Show InChI InChI=1S/C16H23N3S/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)/t13-/m1/s1
PDB

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KEGG

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PC cid
PC sid
UniChem

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PubMed
39n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligand


J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50047145
PNG
((Recemic)5-Dipropylamino-5,6-dihydro-1H,4H-imidazo...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(C1)c23
Show InChI InChI=1S/C16H23N3S/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)/t13-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
80n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand


J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair