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BDBM50274948 CHEMBL457722::cis-4-[4-(2,6-Dimethoxyphenyl)cyclohexyl]-1-(2-pyridinyl)piperazine

SMILES: COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1

InChI Key: InChIKey=NYWPLIFCHQRPAI-KDURUIRLSA-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 = 50274948   
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
3-beta-hydroxysteroid-delta(8),delta(7)-isomerase


(Cavia porcellus)
BDBM50274948
PNG
(CHEMBL457722 | cis-4-[4-(2,6-Dimethoxyphenyl)cyclo...)
Show SMILES COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:13.17,10.10,(18.58,-10.5,;17.25,-11.27,;17.25,-12.81,;15.92,-13.58,;15.92,-15.12,;17.26,-15.89,;18.59,-15.12,;19.93,-15.89,;19.93,-17.43,;18.59,-13.57,;19.92,-12.79,;21.25,-13.56,;22.58,-12.79,;22.58,-11.25,;21.24,-10.48,;19.91,-11.25,;23.91,-10.48,;25.24,-11.26,;26.57,-10.49,;26.58,-8.95,;25.24,-8.18,;23.9,-8.95,;27.91,-8.19,;27.91,-6.66,;29.24,-5.89,;30.58,-6.66,;30.57,-8.2,;29.24,-8.97,)|
Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50274948
PNG
(CHEMBL457722 | cis-4-[4-(2,6-Dimethoxyphenyl)cyclo...)
Show SMILES COc1cccc(OC)c1[C@@H]1CC[C@@H](CC1)N1CCN(CC1)c1ccccn1 |r,wU:13.17,10.10,(18.58,-10.5,;17.25,-11.27,;17.25,-12.81,;15.92,-13.58,;15.92,-15.12,;17.26,-15.89,;18.59,-15.12,;19.93,-15.89,;19.93,-17.43,;18.59,-13.57,;19.92,-12.79,;21.25,-13.56,;22.58,-12.79,;22.58,-11.25,;21.24,-10.48,;19.91,-11.25,;23.91,-10.48,;25.24,-11.26,;26.57,-10.49,;26.58,-8.95,;25.24,-8.18,;23.9,-8.95,;27.91,-8.19,;27.91,-6.66,;29.24,-5.89,;30.58,-6.66,;30.57,-8.2,;29.24,-8.97,)|
Show InChI InChI=1S/C23H31N3O2/c1-27-20-6-5-7-21(28-2)23(20)18-9-11-19(12-10-18)25-14-16-26(17-15-25)22-8-3-4-13-24-22/h3-8,13,18-19H,9-12,14-17H2,1-2H3/t18-,19+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>6.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum


J Med Chem 51: 7523-31 (2009)


Article DOI: 10.1021/jm800965b
BindingDB Entry DOI: 10.7270/Q21837D3
More data for this
Ligand-Target Pair