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BDBM50154853 CHEMBL3775243

SMILES: Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1

InChI Key: InChIKey=CLYZVNJXJPXTED-UHFFFAOYSA-N

Data: 6 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 8 hits for monomerid = 50154853   
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))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
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2n/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))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
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3.20n/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))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
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4n/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))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
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200n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
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200n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
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501n/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)
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
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n/an/a 501n/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)
BDBM50154853
PNG
(CHEMBL3775243)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1N1CCOCC1
Show InChI InChI=1S/C23H31F3N6OS/c1-29-21(31-10-12-33-13-11-31)27-28-22(29)34-14-2-8-30-15-17-7-9-32(20(17)16-30)19-5-3-18(4-6-19)23(24,25)26/h3-6,17,20H,2,7-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/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