BDBM593829 US11578084, Compound I-112::US11578084, Compound I-119

SMILES CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2s1)C(F)F

InChI Key InChIKey=SVQMUKSPRVEFME-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 593829   

TargetD(3) dopamine receptor(Human)
Shionogi

US Patent
LigandPNGBDBM593829(US11578084, Compound I-112 | US11578084, Compound ...)
Affinity DataKi:  0.110nMAssay Description:Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2023
Entry Details
Go to US Patent

TargetD(3) dopamine receptor(Human)
Shionogi

US Patent
LigandPNGBDBM593829(US11578084, Compound I-112 | US11578084, Compound ...)
Affinity DataKi:  0.120nMAssay Description:Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.6HO (20909-55, Nacal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2023
Entry Details
Go to US Patent

TargetD(2) dopamine receptor(Human)
Shionogi

US Patent
LigandPNGBDBM593829(US11578084, Compound I-112 | US11578084, Compound ...)
Affinity DataKi:  1.20E+3nMAssay Description:Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.06HO (20909-55, Naca...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2023
Entry Details
Go to US Patent

TargetD(2) dopamine receptor(Human)
Shionogi

US Patent
LigandPNGBDBM593829(US11578084, Compound I-112 | US11578084, Compound ...)
Affinity DataKi: >2.20E+3nMAssay Description:Buffer solution: 50 mM Tris-HCl (35409-45, Nacalai Tesque) (pH 7.4) containing 120 mM NaCl (31320-05, Nacalai Tesque), 1 mM MgCl.06HO (20909-55, Naca...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/31/2023
Entry Details
Go to US Patent