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SMILES: C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1

InChI Key: InChIKey=XVYIADYYFNGCJZ-CMDGGOBGSA-N

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 = 50450987   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50450987
PNG
(CHEMBL2112913)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-20-17-24-22-21(20)7-4-13-23-22/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D4 receptor stably expressed in HEK293 cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50450987
PNG
(CHEMBL2112913)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-20-17-24-22-21(20)7-4-13-23-22/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D3 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50450987
PNG
(CHEMBL2112913)
Show SMILES C(Cc1c[nH]c2ncccc12)N1CCC(\C=C\c2ccccc2)=CC1 |c:25|
Show InChI InChI=1S/C22H23N3/c1-2-5-18(6-3-1)8-9-19-10-14-25(15-11-19)16-12-20-17-24-22-21(20)7-4-13-23-22/h1-10,13,17H,11-12,14-16H2,(H,23,24)/b9-8+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
280n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human dopamine D2 receptor stably expressed in CHO cells


Bioorg Med Chem Lett 9: 585-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NV9HD4
More data for this
Ligand-Target Pair