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SMILES: CC1=NC2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCC3=CC2O1

InChI Key: InChIKey=UWMNNXYMOFTXGP-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50414988   
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))
BDBM50414988
PNG
(CHEMBL572270)
Show SMILES CC1=NC2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCC3=CC2O1 |c:36,t:1,4|
Show InChI InChI=1S/C28H32N6OS/c1-18-8-9-22-23(6-4-7-24(22)29-18)27-31-32-28(33(27)3)36-15-5-12-34-13-10-20-16-25-26(35-19(2)30-25)17-21(20)11-14-34/h4,6-9,16-17,25-26H,5,10-15H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
63.1n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human DRD3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50414988
PNG
(CHEMBL572270)
Show SMILES CC1=NC2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCC3=CC2O1 |c:36,t:1,4|
Show InChI InChI=1S/C28H32N6OS/c1-18-8-9-22-23(6-4-7-24(22)29-18)27-31-32-28(33(27)3)36-15-5-12-34-13-10-20-16-25-26(35-19(2)30-25)17-21(20)11-14-34/h4,6-9,16-17,25-26H,5,10-15H2,1-3H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
>2.51E+3n/an/an/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Binding affinity to human DRD2 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50414988
PNG
(CHEMBL572270)
Show SMILES CC1=NC2C=C3CCN(CCCSc4nnc(-c5cccc6nc(C)ccc56)n4C)CCC3=CC2O1 |c:36,t:1,4|
Show InChI InChI=1S/C28H32N6OS/c1-18-8-9-22-23(6-4-7-24(22)29-18)27-31-32-28(33(27)3)36-15-5-12-34-13-10-20-16-25-26(35-19(2)30-25)17-21(20)11-14-34/h4,6-9,16-17,25-26H,5,10-15H2,1-3H3
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG


Bioorg Med Chem Lett 19: 5056-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.055
BindingDB Entry DOI: 10.7270/Q2PR7X7C
More data for this
Ligand-Target Pair