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BDBM382322 US10273244, Example 203::US10584135, Example 203

SMILES: Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2c(F)cccc2F)nnc1-c1ccc(nc1)C(N)=O

InChI Key: InChIKey=DVRLZAJGBLYQFK-OXJNMPFZSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 382322   
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))
BDBM382322
PNG
(US10273244, Example 203 | US10584135, Example 203)
Show SMILES Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2c(F)cccc2F)nnc1-c1ccc(nc1)C(N)=O |r|
Show InChI InChI=1S/C24H27F2N7OS/c1-31-23(15-6-7-19(22(27)34)28-12-15)29-30-24(31)35-11-3-9-32-13-16-8-10-33(20(16)14-32)21-17(25)4-2-5-18(21)26/h2,4-7,12,16,20H,3,8-11,13-14H2,1H3,(H2,27,34)/t16-,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.32n/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(3) dopamine receptor


(Homo sapiens (Human))
BDBM382322
PNG
(US10273244, Example 203 | US10584135, Example 203)
Show SMILES Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2c(F)cccc2F)nnc1-c1ccc(nc1)C(N)=O |r|
Show InChI InChI=1S/C24H27F2N7OS/c1-31-23(15-6-7-19(22(27)34)28-12-15)29-30-24(31)35-11-3-9-32-13-16-8-10-33(20(16)14-32)21-17(25)4-2-5-18(21)26/h2,4-7,12,16,20H,3,8-11,13-14H2,1H3,(H2,27,34)/t16-,20+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.32n/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(2) dopamine receptor


(Homo sapiens (Human))
BDBM382322
PNG
(US10273244, Example 203 | US10584135, Example 203)
Show SMILES Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2c(F)cccc2F)nnc1-c1ccc(nc1)C(N)=O |r|
Show InChI InChI=1S/C24H27F2N7OS/c1-31-23(15-6-7-19(22(27)34)28-12-15)29-30-24(31)35-11-3-9-32-13-16-8-10-33(20(16)14-32)21-17(25)4-2-5-18(21)26/h2,4-7,12,16,20H,3,8-11,13-14H2,1H3,(H2,27,34)/t16-,20+/m0/s1
PDB

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US Patent
813n/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))
BDBM382322
PNG
(US10273244, Example 203 | US10584135, Example 203)
Show SMILES Cn1c(SCCCN2C[C@@H]3CCN([C@@H]3C2)c2c(F)cccc2F)nnc1-c1ccc(nc1)C(N)=O |r|
Show InChI InChI=1S/C24H27F2N7OS/c1-31-23(15-6-7-19(22(27)34)28-12-15)29-30-24(31)35-11-3-9-32-13-16-8-10-33(20(16)14-32)21-17(25)4-2-5-18(21)26/h2,4-7,12,16,20H,3,8-11,13-14H2,1H3,(H2,27,34)/t16-,20+/m0/s1
PDB

Reactome pathway
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UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
813n/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