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BDBM194765 US9206167, 91

SMILES: Fc1cc2CCNC(=O)c2cc1COCCCCN1CCN(CC1)c1cccc2sccc12

InChI Key: InChIKey=QMQQGNVMQBEIOF-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 = 194765   
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))
BDBM194765
PNG
(US9206167, 91)
Show SMILES Fc1cc2CCNC(=O)c2cc1COCCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C26H30FN3O2S/c27-23-17-19-6-8-28-26(31)22(19)16-20(23)18-32-14-2-1-9-29-10-12-30(13-11-29)24-4-3-5-25-21(24)7-15-33-25/h3-5,7,15-17H,1-2,6,8-14,18H2,(H,28,31)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
1.40 -12.1n/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))
BDBM194765
PNG
(US9206167, 91)
Show SMILES Fc1cc2CCNC(=O)c2cc1COCCCCN1CCN(CC1)c1cccc2sccc12
Show InChI InChI=1S/C26H30FN3O2S/c27-23-17-19-6-8-28-26(31)22(19)16-20(23)18-32-14-2-1-9-29-10-12-30(13-11-29)24-4-3-5-25-21(24)7-15-33-25/h3-5,7,15-17H,1-2,6,8-14,18H2,(H,28,31)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.5 -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