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BDBM50154873 CHEMBL3775753::US10273244, Example 125::US10584135, Example 125

SMILES: COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12

InChI Key: InChIKey=OMOJVKDXKKEFQT-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 = 50154873   
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))
BDBM50154873
PNG
(CHEMBL3775753 | US10273244, Example 125 | US105841...)
Show SMILES COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H28FN7OS/c1-29-22(19-13-25-7-8-26-19)27-28-23(29)33-11-3-9-30-14-16-6-10-31(20(16)15-30)17-4-5-18(24)21(12-17)32-2/h4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1-2H3
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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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50154873
PNG
(CHEMBL3775753 | US10273244, Example 125 | US105841...)
Show SMILES COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H28FN7OS/c1-29-22(19-13-25-7-8-26-19)27-28-23(29)33-11-3-9-30-14-16-6-10-31(20(16)15-30)17-4-5-18(24)21(12-17)32-2/h4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1-2H3
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US Patent
3.31n/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-hD3...


US Patent US10273244 (2019)


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


(Homo sapiens (Human))
BDBM50154873
PNG
(CHEMBL3775753 | US10273244, Example 125 | US105841...)
Show SMILES COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H28FN7OS/c1-29-22(19-13-25-7-8-26-19)27-28-23(29)33-11-3-9-30-14-16-6-10-31(20(16)15-30)17-4-5-18(24)21(12-17)32-2/h4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1-2H3
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US Patent
3.31n/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))
BDBM50154873
PNG
(CHEMBL3775753 | US10273244, Example 125 | US105841...)
Show SMILES COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H28FN7OS/c1-29-22(19-13-25-7-8-26-19)27-28-23(29)33-11-3-9-30-14-16-6-10-31(20(16)15-30)17-4-5-18(24)21(12-17)32-2/h4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1-2H3
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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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50154873
PNG
(CHEMBL3775753 | US10273244, Example 125 | US105841...)
Show SMILES COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H28FN7OS/c1-29-22(19-13-25-7-8-26-19)27-28-23(29)33-11-3-9-30-14-16-6-10-31(20(16)15-30)17-4-5-18(24)21(12-17)32-2/h4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1-2H3
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US Patent
525n/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))
BDBM50154873
PNG
(CHEMBL3775753 | US10273244, Example 125 | US105841...)
Show SMILES COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H28FN7OS/c1-29-22(19-13-25-7-8-26-19)27-28-23(29)33-11-3-9-30-14-16-6-10-31(20(16)15-30)17-4-5-18(24)21(12-17)32-2/h4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1-2H3
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US Patent
525n/an/an/an/an/an/an/an/a



Indivior UK Limited

US Patent


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


US Patent US10273244 (2019)


BindingDB Entry DOI: 10.7270/Q2RN3B5H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50154873
PNG
(CHEMBL3775753 | US10273244, Example 125 | US105841...)
Show SMILES COc1cc(ccc1F)N1CCC2CN(CCCSc3nnc(-c4cnccn4)n3C)CC12
Show InChI InChI=1S/C23H28FN7OS/c1-29-22(19-13-25-7-8-26-19)27-28-23(29)33-11-3-9-30-14-16-6-10-31(20(16)15-30)17-4-5-18(24)21(12-17)32-2/h4-5,7-8,12-13,16,20H,3,6,9-11,14-15H2,1-2H3
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n/an/a 398n/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