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BDBM50097834 CHEMBL3589652

SMILES: OC(CCNC(=O)c1ccc2Cc3ccccc3-c2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl

InChI Key: InChIKey=UXVSPCRUHCDGHS-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50097834   
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))
BDBM50097834
PNG
(CHEMBL3589652)
Show SMILES OC(CCNC(=O)c1ccc2Cc3ccccc3-c2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O2/c29-25-6-3-7-26(27(25)30)33-14-12-32(13-15-33)18-22(34)10-11-31-28(35)21-9-8-20-16-19-4-1-2-5-23(19)24(20)17-21/h1-9,17,22,34H,10-16,18H2,(H,31,35)
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Article
PubMed
0.233n/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 expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50097834
PNG
(CHEMBL3589652)
Show SMILES OC(CCNC(=O)c1ccc2Cc3ccccc3-c2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O2/c29-25-6-3-7-26(27(25)30)33-14-12-32(13-15-33)18-22(34)10-11-31-28(35)21-9-8-20-16-19-4-1-2-5-23(19)24(20)17-21/h1-9,17,22,34H,10-16,18H2,(H,31,35)
PDB

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Article
PubMed
55n/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 expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50097834
PNG
(CHEMBL3589652)
Show SMILES OC(CCNC(=O)c1ccc2Cc3ccccc3-c2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C28H29Cl2N3O2/c29-25-6-3-7-26(27(25)30)33-14-12-32(13-15-33)18-22(34)10-11-31-28(35)21-9-8-20-16-19-4-1-2-5-23(19)24(20)17-21/h1-9,17,22,34H,10-16,18H2,(H,31,35)
Reactome pathway
KEGG

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PC sid
UniChem

Patents


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Article
PubMed
3.67E+3n/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 D4 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting...


Bioorg Med Chem 23: 4000-12 (2015)


Article DOI: 10.1016/j.bmc.2015.01.017
BindingDB Entry DOI: 10.7270/Q2BV7JCJ
More data for this
Ligand-Target Pair