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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 = 'BDBM382270'   
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))
BDBM382270
PNG
(US10273244, Example 139 | US10584135, Example 139)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1-c1ccncn1
Show InChI InChI=1S/C22H26FN7S/c1-28-21(19-7-9-24-15-25-19)26-27-22(28)31-12-2-10-29-13-16-8-11-30(20(16)14-29)18-5-3-17(23)4-6-18/h3-7,9,15-16,20H,2,8,10-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.48n/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))
BDBM382270
PNG
(US10273244, Example 139 | US10584135, Example 139)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1-c1ccncn1
Show InChI InChI=1S/C22H26FN7S/c1-28-21(19-7-9-24-15-25-19)26-27-22(28)31-12-2-10-29-13-16-8-11-30(20(16)14-29)18-5-3-17(23)4-6-18/h3-7,9,15-16,20H,2,8,10-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.48n/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