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SMILES: COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccc(C)cc3c2)CC1

InChI Key: InChIKey=VPXUAYLFOKMYIW-UHFFFAOYSA-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 = 50105056   
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


(Homo sapiens (Human))
BDBM50105056
PNG
(CHEMBL3597652)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccc(C)cc3c2)CC1
Show InChI InChI=1S/C26H32N4O3/c1-19-7-8-23-20(15-19)16-21(17-28-23)26(32)27-10-9-22(31)18-29-11-13-30(14-12-29)24-5-3-4-6-25(24)33-2/h3-8,15-17,22,31H,9-14,18H2,1-2H3,(H,27,32)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
53n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105056
PNG
(CHEMBL3597652)
Show SMILES COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cnc3ccc(C)cc3c2)CC1
Show InChI InChI=1S/C26H32N4O3/c1-19-7-8-23-20(15-19)16-21(17-28-23)26(32)27-10-9-22(31)18-29-11-13-30(14-12-29)24-5-3-4-6-25(24)33-2/h3-8,15-17,22,31H,9-14,18H2,1-2H3,(H,27,32)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
707n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair