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BDBM50154869 CHEMBL3774519::US10273244, Example 133::US10584135, Example 133

SMILES: Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1

InChI Key: InChIKey=CLYNVSXWCAGMQB-UHFFFAOYSA-N

Data: 6 KI  1 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 7 hits for monomerid = 50154869   
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))
BDBM50154869
PNG
(CHEMBL3774519 | US10273244, Example 133 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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PubMed
1n/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)


BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154869
PNG
(CHEMBL3774519 | US10273244, Example 133 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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US Patent
1.07n/an/an/an/an/an/an/an/a



IRBM/Merck



Assay Description
3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3...


Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2RN3B5H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154869
PNG
(CHEMBL3774519 | US10273244, Example 133 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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US Patent
1.07n/an/an/an/an/an/an/an/a



INDIVIOR UK LIMITED

US Patent


Assay Description
[3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...


US Patent US10584135 (2020)


BindingDB Entry DOI: 10.7270/Q29S1TFG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154869
PNG
(CHEMBL3774519 | US10273244, Example 133 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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US Patent
603n/an/an/an/an/an/an/an/a



INDIVIOR UK LIMITED

US Patent


Assay Description
CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were re-suspended ...


US Patent US10584135 (2020)


BindingDB Entry DOI: 10.7270/Q29S1TFG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154869
PNG
(CHEMBL3774519 | US10273244, Example 133 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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US Patent
603n/an/an/an/an/an/an/an/a



IRBM/Merck



Assay Description
Functional Calcium Assay at hD2 recombinant receptor. CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#...


Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2RN3B5H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154869
PNG
(CHEMBL3774519 | US10273244, Example 133 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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631n/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)


BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154869
PNG
(CHEMBL3774519 | US10273244, Example 133 | US105841...)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2c(F)cc(F)cc2F)nnc1-c1cnccn1
Show InChI InChI=1S/C22H24F3N7S/c1-30-21(18-11-26-4-5-27-18)28-29-22(30)33-8-2-6-31-12-14-3-7-32(19(14)13-31)20-16(24)9-15(23)10-17(20)25/h4-5,9-11,14,19H,2-3,6-8,12-13H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q29P33JV
More data for this
Ligand-Target Pair