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BDBM371881 US10239870, Example 98

SMILES: Cn1c(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1

InChI Key: InChIKey=CTRVTEOXKBMCKO-XUZZJYLKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 371881   
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
Dopamine receptor D2 and D3


(Rattus norvegicus (Rat))
BDBM371881
PNG
(US10239870, Example 98)
Show SMILES Cn1c(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCCCC1
Show InChI InChI=1S/C25H33F3N4S/c1-31-22(19-6-3-2-4-7-19)29-30-23(31)33-15-5-13-32-14-12-24(17-32)16-21(24)18-8-10-20(11-9-18)25(26,27)28/h8-11,19,21H,2-7,12-17H2,1H3/t21-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
31.6n/an/an/an/an/an/an/an/a



Indivior UK Limited

US Patent


Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...


US Patent US10239870 (2019)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair