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SMILES: FC(F)(F)COc1ccc2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CCc2n1

InChI Key: InChIKey=MWYSFMDHBGHGSI-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 476927   
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))
BDBM476927
PNG
(US10870660, Compound II-105 | US11345716, Compound...)
Show SMILES FC(F)(F)COc1ccc2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CCc2n1
Show InChI InChI=1S/C24H27F3N4O2/c25-24(26,27)16-33-22-8-7-17-9-13-31(14-10-20(17)30-22)12-4-3-11-28-23(32)21-15-18-5-1-2-6-19(18)29-21/h1-2,5-8,15,29H,3-4,9-14,16H2,(H,28,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.110n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476927
PNG
(US10870660, Compound II-105 | US11345716, Compound...)
Show SMILES FC(F)(F)COc1ccc2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CCc2n1
Show InChI InChI=1S/C24H27F3N4O2/c25-24(26,27)16-33-22-8-7-17-9-13-31(14-10-20(17)30-22)12-4-3-11-28-23(32)21-15-18-5-1-2-6-19(18)29-21/h1-2,5-8,15,29H,3-4,9-14,16H2,(H,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10E+3n/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