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BDBM194766 US9206167, 92

SMILES: CN1CCc2cc(F)c(COCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O

InChI Key: InChIKey=WAJUKWCONSQXQF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 194766   
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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM194766
PNG
(US9206167, 92)
Show SMILES CN1CCc2cc(F)c(COCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C27H32FN3O2S/c1-29-10-7-20-18-24(28)21(17-23(20)27(29)32)19-33-15-3-2-9-30-11-13-31(14-12-30)25-5-4-6-26-22(25)8-16-34-26/h4-6,8,16-18H,2-3,7,9-15,19H2,1H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
1.70 -12.0n/an/an/an/an/a7.425



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of ...


US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM194766
PNG
(US9206167, 92)
Show SMILES CN1CCc2cc(F)c(COCCCCN3CCN(CC3)c3cccc4sccc34)cc2C1=O
Show InChI InChI=1S/C27H32FN3O2S/c1-29-10-7-20-18-24(28)21(17-23(20)27(29)32)19-33-15-3-2-9-30-11-13-31(14-12-30)25-5-4-6-26-22(25)8-16-34-26/h4-6,8,16-18H,2-3,7,9-15,19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.70 -11.7n/an/an/an/an/a7.437



OTSUKA PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (...


US Patent US9206167 (2015)


BindingDB Entry DOI: 10.7270/Q2XD10GS
More data for this
Ligand-Target Pair