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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 = 'BDBM382317'   
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))		BDBM382317
PNG
(US10273244, Example 198 | US10584135, Example 198)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1-c1ccc(nc1)C(N)=O
Show InChI InChI=1S/C24H28FN7OS/c1-30-23(16-3-8-20(22(26)33)27-13-16)28-29-24(30)34-12-2-10-31-14-17-9-11-32(21(17)15-31)19-6-4-18(25)5-7-19/h3-8,13,17,21H,2,9-12,14-15H2,1H3,(H2,26,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.525n/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))		BDBM382317
PNG
(US10273244, Example 198 | US10584135, Example 198)
Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(F)cc2)nnc1-c1ccc(nc1)C(N)=O
Show InChI InChI=1S/C24H28FN7OS/c1-30-23(16-3-8-20(22(26)33)27-13-16)28-29-24(30)34-12-2-10-31-14-17-9-11-32(21(17)15-31)19-6-4-18(25)5-7-19/h3-8,13,17,21H,2,9-12,14-15H2,1H3,(H2,26,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 0.525n/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