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BDBM106442 US8586579, 31

SMILES: CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1

InChI Key: InChIKey=RRYHHCNEVZLSCS-IYARVYRRNA-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 = 106442   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM106442
PNG
(US8586579, 31)
Show SMILES CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1
Show InChI InChI=1/C21H32N4O2S2/c1-2-29(26,27)23-18-5-3-17(4-6-18)8-11-24-12-14-25(15-13-24)21-19-9-16-28-20(19)7-10-22-21/h7,9-10,16-18,23H,2-6,8,11-15H2,1H3/t17-,18-
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
2.90n/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 US8586579 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K55
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM106442
PNG
(US8586579, 31)
Show SMILES CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1
Show InChI InChI=1/C21H32N4O2S2/c1-2-29(26,27)23-18-5-3-17(4-6-18)8-11-24-12-14-25(15-13-24)21-19-9-16-28-20(19)7-10-22-21/h7,9-10,16-18,23H,2-6,8,11-15H2,1H3/t17-,18-
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
4.30n/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 US8586579 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K55
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM106442
PNG
(US8586579, 31)
Show SMILES CCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3sccc23)CC1
Show InChI InChI=1/C21H32N4O2S2/c1-2-29(26,27)23-18-5-3-17(4-6-18)8-11-24-12-14-25(15-13-24)21-19-9-16-28-20(19)7-10-22-21/h7,9-10,16-18,23H,2-6,8,11-15H2,1H3/t17-,18-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
217n/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 US8586579 (2013)


BindingDB Entry DOI: 10.7270/Q2QV3K55
More data for this
Ligand-Target Pair