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SMILES: Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)on1

InChI Key:

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 = 593769   
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)
BDBM593769
PNG
(US11578084, Compound I-052)
Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)on1 |r,wU:11.11,wD:8.7,(12.95,2.77,;11.41,2.77,;10.5,4.02,;9.04,3.54,;7.7,4.31,;6.37,3.54,;6.37,2,;5.04,4.31,;3.7,3.54,;2.37,4.31,;1.04,3.54,;1.04,2,;-.3,1.23,;-1.63,2,;-2.97,1.23,;-4.32,1.96,;-5.74,1.36,;-6.15,-.19,;-7.61,-.67,;-7.61,-2.21,;-8.95,-2.98,;-10.28,-2.21,;-11.61,-2.98,;-12.95,-2.21,;-12.38,-4.31,;-10.84,-4.31,;-6.15,-2.69,;-5.24,-1.44,;-3.7,-1.44,;-2.69,-.28,;2.37,1.23,;3.7,2,;9.04,2,;10.5,1.53,)|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0830n/an/an/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CF9V1Q
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM593769
PNG
(US11578084, Compound I-052)
Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)on1 |r,wU:11.11,wD:8.7,(12.95,2.77,;11.41,2.77,;10.5,4.02,;9.04,3.54,;7.7,4.31,;6.37,3.54,;6.37,2,;5.04,4.31,;3.7,3.54,;2.37,4.31,;1.04,3.54,;1.04,2,;-.3,1.23,;-1.63,2,;-2.97,1.23,;-4.32,1.96,;-5.74,1.36,;-6.15,-.19,;-7.61,-.67,;-7.61,-2.21,;-8.95,-2.98,;-10.28,-2.21,;-11.61,-2.98,;-12.95,-2.21,;-12.38,-4.31,;-10.84,-4.31,;-6.15,-2.69,;-5.24,-1.44,;-3.7,-1.44,;-2.69,-.28,;2.37,1.23,;3.7,2,;9.04,2,;10.5,1.53,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CF9V1Q
More data for this
Ligand-Target Pair