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BDBM186963 US9079895, 65

SMILES: CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1

InChI Key: InChIKey=XRYWJXIFEBMFIK-OTOKDRCRSA-N

Data: 4 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 4 hits for monomerid = 186963   
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))
BDBM186963
PNG
(US9079895, 65)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1
Show InChI InChI=1S/C22H25ClN2O3/c1-16-11-17-5-2-3-8-21(17)25(16)22(26)14-24-9-10-27-20(13-24)15-28-19-7-4-6-18(23)12-19/h2-8,12,16,20H,9-11,13-15H2,1H3/t16?,20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

333n/an/an/an/an/an/an/an/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))
BDBM186963
PNG
(US9079895, 65)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1
Show InChI InChI=1S/C22H25ClN2O3/c1-16-11-17-5-2-3-8-21(17)25(16)22(26)14-24-9-10-27-20(13-24)15-28-19-7-4-6-18(23)12-19/h2-8,12,16,20H,9-11,13-15H2,1H3/t16?,20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

1.82E+3n/an/an/an/an/an/an/an/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 1A (5HT1A)


(Mus musculus (Mouse))
BDBM186963
PNG
(US9079895, 65)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1
Show InChI InChI=1S/C22H25ClN2O3/c1-16-11-17-5-2-3-8-21(17)25(16)22(26)14-24-9-10-27-20(13-24)15-28-19-7-4-6-18(23)12-19/h2-8,12,16,20H,9-11,13-15H2,1H3/t16?,20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

>1.00E+4n/an/an/an/an/an/an/an/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
Alpha-1D adrenergic receptor


(Mus musculus (Mouse))
BDBM186963
PNG
(US9079895, 65)
Show SMILES CC1Cc2ccccc2N1C(=O)CN1CCO[C@@H](COc2cccc(Cl)c2)C1
Show InChI InChI=1S/C22H25ClN2O3/c1-16-11-17-5-2-3-8-21(17)25(16)22(26)14-24-9-10-27-20(13-24)15-28-19-7-4-6-18(23)12-19/h2-8,12,16,20H,9-11,13-15H2,1H3/t16?,20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

>1.00E+4n/an/an/an/an/an/an/an/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