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BDBM50105009 CHEMBL3597645

SMILES: O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2s1

InChI Key: InChIKey=JFBMKPAJRCILMR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50105009   
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
Dopamine receptor


(Homo sapiens (Human))
BDBM50105009
PNG
(CHEMBL3597645)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C27H29N3OS/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.128n/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)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105009
PNG
(CHEMBL3597645)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C27H29N3OS/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.40n/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)


Article DOI: 10.1021/acs.jmedchem.5b00776
BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair