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BDBM186929 US9079895, 21r

SMILES: C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc12

InChI Key: InChIKey=NVTIHTIPOLNIHA-LJQANCHMSA-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 = 186929   
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
Dopamine D4 receptor


(Mus musculus (Mouse))
BDBM186929
PNG
(US9079895, 21r)
Show SMILES C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C20H25N3O2/c1-2-6-20-17(4-1)7-9-23(20)11-10-22-12-13-24-19(15-22)16-25-18-5-3-8-21-14-18/h1-6,8,14,19H,7,9-13,15-16H2/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.41E+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))
BDBM186929
PNG
(US9079895, 21r)
Show SMILES C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C20H25N3O2/c1-2-6-20-17(4-1)7-9-23(20)11-10-22-12-13-24-19(15-22)16-25-18-5-3-8-21-14-18/h1-6,8,14,19H,7,9-13,15-16H2/t19-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
3.58E+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 D1 receptor


(Mus musculus (Mouse))
BDBM186929
PNG
(US9079895, 21r)
Show SMILES C(CN1CCO[C@@H](COc2cccnc2)C1)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C20H25N3O2/c1-2-6-20-17(4-1)7-9-23(20)11-10-22-12-13-24-19(15-22)16-25-18-5-3-8-21-14-18/h1-6,8,14,19H,7,9-13,15-16H2/t19-/m1/s1
PDB

UniProtKB/SwissProt

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