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SMILES: CCCN(CCC\C=C/c1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1

InChI Key: InChIKey=DCTJWNXQZKKVMP-ALCCZGGFSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50533799   
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(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50533799
PNG
(CHEMBL4442437)
Show SMILES CCCN(CCC\C=C/c1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C22H31N3O2S/c1-3-12-25(17-9-10-18-21(15-17)28-22(23)24-18)13-6-4-5-7-16-8-11-19(26)20(14-16)27-2/h5,7-8,11,14,17,26H,3-4,6,9-10,12-13,15H2,1-2H3,(H2,23,24)/b7-5-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
23n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50533799
PNG
(CHEMBL4442437)
Show SMILES CCCN(CCC\C=C/c1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C22H31N3O2S/c1-3-12-25(17-9-10-18-21(15-17)28-22(23)24-18)13-6-4-5-7-16-8-11-19(26)20(14-16)27-2/h5,7-8,11,14,17,26H,3-4,6,9-10,12-13,15H2,1-2H3,(H2,23,24)/b7-5-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
233n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from rat D2L dopamine receptor expressed in HEK293 cell membranes after 1 hr


Bioorg Med Chem 24: 5088-5102 (2016)


Article DOI: 10.1016/j.bmc.2016.08.021
More data for this
Ligand-Target Pair