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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM476807'   
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))
BDBM476807
PNG
(US10870660, Compound III-262 | US11345716, Compoun...)
Show SMILES Cc1ncc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)o1 |r,wU:12.13,wD:9.8,12.12,(13.11,2.59,;11.57,2.59,;10.67,1.34,;9.2,1.82,;9.2,3.36,;7.87,4.13,;6.53,3.36,;6.53,1.82,;5.2,4.13,;3.87,3.36,;2.53,4.13,;1.2,3.36,;1.2,1.82,;1.2,.28,;-.13,1.05,;-1.47,1.82,;-2.8,1.05,;-4.07,1.92,;-5.55,1.46,;-6.11,.03,;-7.62,-.29,;-7.78,-1.82,;-9.11,-2.59,;-10.44,-1.82,;-11.78,-2.59,;-11.78,-4.13,;-13.11,-1.82,;-13.11,-3.36,;-6.37,-2.45,;-5.34,-1.3,;-3.82,-1.53,;-2.69,-.48,;2.53,1.05,;3.87,1.82,;10.67,3.84,)|
Show InChI InChI=1S/C23H30F4N4O3S/c1-15-28-13-17(34-15)12-20(32)29-16-2-6-22(24,7-3-16)8-11-31-9-4-18-19(5-10-31)35-21(30-18)33-14-23(25,26)27/h13,16H,2-12,14H2,1H3,(H,29,32)/t16-,22+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.220n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent


Assay Description
225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...


US Patent US10870660 (2020)


BindingDB Entry DOI: 10.7270/Q2M61PBD
More data for this
Ligand-Target Pair