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SMILES: Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)C3CC(F)(F)C3)CC2)on1

InChI Key: InChIKey=UIFXBTKQVKHNLS-SAABIXHNSA-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 = 476887   
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))
BDBM476887
PNG
(US10870660, Compound I-098)
Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)C3CC(F)(F)C3)CC2)on1 |r,wU:8.7,wD:11.11,(13.03,1.57,;11.5,1.41,;10.47,2.55,;9.06,1.93,;7.73,2.69,;6.39,1.93,;6.39,.38,;5.06,2.69,;3.73,1.93,;3.73,.38,;2.39,-.38,;1.06,.38,;-.27,-.38,;-1.61,.38,;-2.94,-.38,;-2.94,-1.93,;-4.28,-2.69,;-5.61,-1.93,;-7.07,-2.4,;-7.98,-1.15,;-7.07,.09,;-5.61,-.38,;-4.28,.38,;-9.52,-1.15,;-10.61,-.07,;-11.7,-1.15,;-13.03,-.38,;-13.03,-1.93,;-10.61,-2.24,;1.06,1.93,;2.39,2.69,;9.22,.39,;10.73,.07,)|
Show InChI InChI=1S/C24H32F2N4O2S/c1-15-10-19(32-29-15)11-22(31)27-18-4-2-16(3-5-18)6-8-30-9-7-21-20(14-30)28-23(33-21)17-12-24(25,26)13-17/h10,16-18H,2-9,11-14H2,1H3,(H,27,31)/t16-,18-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.120n/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)

More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM476887
PNG
(US10870660, Compound I-098)
Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)C3CC(F)(F)C3)CC2)on1 |r,wU:8.7,wD:11.11,(13.03,1.57,;11.5,1.41,;10.47,2.55,;9.06,1.93,;7.73,2.69,;6.39,1.93,;6.39,.38,;5.06,2.69,;3.73,1.93,;3.73,.38,;2.39,-.38,;1.06,.38,;-.27,-.38,;-1.61,.38,;-2.94,-.38,;-2.94,-1.93,;-4.28,-2.69,;-5.61,-1.93,;-7.07,-2.4,;-7.98,-1.15,;-7.07,.09,;-5.61,-.38,;-4.28,.38,;-9.52,-1.15,;-10.61,-.07,;-11.7,-1.15,;-13.03,-.38,;-13.03,-1.93,;-10.61,-2.24,;1.06,1.93,;2.39,2.69,;9.22,.39,;10.73,.07,)|
Show InChI InChI=1S/C24H32F2N4O2S/c1-15-10-19(32-29-15)11-22(31)27-18-4-2-16(3-5-18)6-8-30-9-7-21-20(14-30)28-23(33-21)17-12-24(25,26)13-17/h10,16-18H,2-9,11-14H2,1H3,(H,27,31)/t16-,18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.60E+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)

More data for this
Ligand-Target Pair