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BDBM194778 US9206167, 188

SMILES: O=c1ccc2cccc(OCCCCN3CCN(CC3)c3cccc4sccc34)c2[nH]1

InChI Key: InChIKey=UUYQVYOWXJXSAJ-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 = 194778   
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))
BDBM194778
PNG
(US9206167, 188)
Show SMILES O=c1ccc2cccc(OCCCCN3CCN(CC3)c3cccc4sccc34)c2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-24-10-9-19-5-3-7-22(25(19)26-24)30-17-2-1-12-27-13-15-28(16-14-27)21-6-4-8-23-20(21)11-18-31-23/h3-11,18H,1-2,12-17H2,(H,26,29)
PDB

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UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
1.60 -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))
BDBM194778
PNG
(US9206167, 188)
Show SMILES O=c1ccc2cccc(OCCCCN3CCN(CC3)c3cccc4sccc34)c2[nH]1
Show InChI InChI=1S/C25H27N3O2S/c29-24-10-9-19-5-3-7-22(25(19)26-24)30-17-2-1-12-27-13-15-28(16-14-27)21-6-4-8-23-20(21)11-18-31-23/h3-11,18H,1-2,12-17H2,(H,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.30 -11.6n/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