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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM382322'   
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(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