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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM382178'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM382178
PNG
(US10273244, Example 10 | US10584135, Example 10)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2cccc(c2)C#N)n1C |r|
Show InChI InChI=1S/C23H27N7OS/c1-16-21(31-15-25-16)22-26-27-23(28(22)2)32-10-4-8-29-13-18-7-9-30(20(18)14-29)19-6-3-5-17(11-19)12-24/h3,5-6,11,15,18,20H,4,7-10,13-14H2,1-2H3/t18-,20+/m0/s1
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2.19n/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 seeded into b...


US Patent US10584135 (2020)


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


(Homo sapiens (Human))
BDBM382178
PNG
(US10273244, Example 10 | US10584135, Example 10)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2cccc(c2)C#N)n1C |r|
Show InChI InChI=1S/C23H27N7OS/c1-16-21(31-15-25-16)22-26-27-23(28(22)2)32-10-4-8-29-13-18-7-9-30(20(18)14-29)19-6-3-5-17(11-19)12-24/h3,5-6,11,15,18,20H,4,7-10,13-14H2,1-2H3/t18-,20+/m0/s1
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2.19n/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))
BDBM382178
PNG
(US10273244, Example 10 | US10584135, Example 10)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2cccc(c2)C#N)n1C |r|
Show InChI InChI=1S/C23H27N7OS/c1-16-21(31-15-25-16)22-26-27-23(28(22)2)32-10-4-8-29-13-18-7-9-30(20(18)14-29)19-6-3-5-17(11-19)12-24/h3,5-6,11,15,18,20H,4,7-10,13-14H2,1-2H3/t18-,20+/m0/s1
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33.9n/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))
BDBM382178
PNG
(US10273244, Example 10 | US10584135, Example 10)
Show SMILES Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2cccc(c2)C#N)n1C |r|
Show InChI InChI=1S/C23H27N7OS/c1-16-21(31-15-25-16)22-26-27-23(28(22)2)32-10-4-8-29-13-18-7-9-30(20(18)14-29)19-6-3-5-17(11-19)12-24/h3,5-6,11,15,18,20H,4,7-10,13-14H2,1-2H3/t18-,20+/m0/s1
PDB

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33.9n/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