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BDBM50154897 CHEMBL3774463

SMILES: Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1

InChI Key: InChIKey=QRRCESJWXMIGPS-UHFFFAOYSA-N

Data: 4 KI  2 IC50

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 6 hits for monomerid = 50154897   
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))
BDBM50154897
PNG
(CHEMBL3774463)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1
Show InChI InChI=1S/C25H34F3N5S/c1-31-23(18-6-3-2-4-7-18)29-30-24(31)34-15-5-13-32-16-19-12-14-33(22(19)17-32)21-10-8-20(9-11-21)25(26,27)28/h8-11,18-19,22H,2-7,12-17H2,1H3
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13n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50154897
PNG
(CHEMBL3774463)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1
Show InChI InChI=1S/C25H34F3N5S/c1-31-23(18-6-3-2-4-7-18)29-30-24(31)34-15-5-13-32-16-19-12-14-33(22(19)17-32)21-10-8-20(9-11-21)25(26,27)28/h8-11,18-19,22H,2-7,12-17H2,1H3
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32n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50154897
PNG
(CHEMBL3774463)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1
Show InChI InChI=1S/C25H34F3N5S/c1-31-23(18-6-3-2-4-7-18)29-30-24(31)34-15-5-13-32-16-19-12-14-33(22(19)17-32)21-10-8-20(9-11-21)25(26,27)28/h8-11,18-19,22H,2-7,12-17H2,1H3
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40n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter metho...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154897
PNG
(CHEMBL3774463)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1
Show InChI InChI=1S/C25H34F3N5S/c1-31-23(18-6-3-2-4-7-18)29-30-24(31)34-15-5-13-32-16-19-12-14-33(22(19)17-32)21-10-8-20(9-11-21)25(26,27)28/h8-11,18-19,22H,2-7,12-17H2,1H3
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6.31E+3n/an/an/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter meth...


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154897
PNG
(CHEMBL3774463)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1
Show InChI InChI=1S/C25H34F3N5S/c1-31-23(18-6-3-2-4-7-18)29-30-24(31)34-15-5-13-32-16-19-12-14-33(22(19)17-32)21-10-8-20(9-11-21)25(26,27)28/h8-11,18-19,22H,2-7,12-17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154897
PNG
(CHEMBL3774463)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCCCC1
Show InChI InChI=1S/C25H34F3N5S/c1-31-23(18-6-3-2-4-7-18)29-30-24(31)34-15-5-13-32-16-19-12-14-33(22(19)17-32)21-10-8-20(9-11-21)25(26,27)28/h8-11,18-19,22H,2-7,12-17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 316n/an/an/an/an/an/a



Aptuit s.r.l

Curated by ChEMBL


Assay Description
Inhibition of human ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay


Bioorg Med Chem 24: 1619-36 (2016)


Article DOI: 10.1016/j.bmc.2016.02.031
BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair