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BDBM186945 US9079895, 29r

SMILES: Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc23)CCO1

InChI Key: InChIKey=HPLSCEVPHLQHEB-HXUWFJFHSA-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 = 186945   
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 2B (5HT2B)


(Mus musculus (Mouse))
BDBM186945
PNG
(US9079895, 29r)
Show SMILES Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc23)CCO1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-17-7-9-23-18(2)22(17)27-16-20-15-24(13-14-26-20)11-12-25-10-8-19-5-3-4-6-21(19)25/h3-7,9,20H,8,10-16H2,1-2H3/t20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.33E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
Dopamine D4 receptor


(Mus musculus (Mouse))
BDBM186945
PNG
(US9079895, 29r)
Show SMILES Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc23)CCO1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-17-7-9-23-18(2)22(17)27-16-20-15-24(13-14-26-20)11-12-25-10-8-19-5-3-4-6-21(19)25/h3-7,9,20H,8,10-16H2,1-2H3/t20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
4.95E+3n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A (5HT2A)


(Mus musculus (Mouse))
BDBM186945
PNG
(US9079895, 29r)
Show SMILES Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc23)CCO1 |r|
Show InChI InChI=1S/C22H29N3O2/c1-17-7-9-23-18(2)22(17)27-16-20-15-24(13-14-26-20)11-12-25-10-8-19-5-3-4-6-21(19)25/h3-7,9,20H,8,10-16H2,1-2H3/t20-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
>1.00E+4n/an/an/an/an/an/a7.4n/a



University of Dundee

US Patent


Assay Description
The detailed experimental protocols for the radioligand and functional receptor assays are available on the NIMH PDSP website at http://pdsp.med.un...


US Patent US9079895 (2015)


BindingDB Entry DOI: 10.7270/Q2D7996K
More data for this
Ligand-Target Pair