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BDBM107500 US8598357, 3

SMILES: O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1

InChI Key: InChIKey=CFTKIUKLSZSRGT-LFKXIUMZNA-N

Data: 3 KI

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 3 hits for monomerid = 107500   
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))
BDBM107500
PNG
(US8598357, 3)
Show SMILES O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C26H38N2O5/c29-25(16-22-17-30-14-15-31-22)27-21-6-4-19(5-7-21)8-11-28-12-9-20(10-13-28)23-2-1-3-24-26(23)33-18-32-24/h1-3,19-22H,4-18H2,(H,27,29)/t19-,21-,22?
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
8.88n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...


US Patent US8598357 (2013)


BindingDB Entry DOI: 10.7270/Q27P8X2S
More data for this
Ligand-Target Pair
Dopamine D2 receptor and serotonin 2a receptor


(Homo sapiens (Human))
BDBM107500
PNG
(US8598357, 3)
Show SMILES O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C26H38N2O5/c29-25(16-22-17-30-14-15-31-22)27-21-6-4-19(5-7-21)8-11-28-12-9-20(10-13-28)23-2-1-3-24-26(23)33-18-32-24/h1-3,19-22H,4-18H2,(H,27,29)/t19-,21-,22?
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
13.9n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...


US Patent US8598357 (2013)


BindingDB Entry DOI: 10.7270/Q27P8X2S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM107500
PNG
(US8598357, 3)
Show SMILES O=C(CC1COCCO1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
Show InChI InChI=1/C26H38N2O5/c29-25(16-22-17-30-14-15-31-22)27-21-6-4-19(5-7-21)8-11-28-12-9-20(10-13-28)23-2-1-3-24-26(23)33-18-32-24/h1-3,19-22H,4-18H2,(H,27,29)/t19-,21-,22?
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
530n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expr...


US Patent US8598357 (2013)


BindingDB Entry DOI: 10.7270/Q27P8X2S
More data for this
Ligand-Target Pair