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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 249.4
BDBM50004107
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50004107
PNG
(1-(1-Thiophen-2-yl-cyclohexyl)-piperidine | CHEMBL...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cccs1
Show InChI InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



G. D. Searle& Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to phencyclidine receptor


J Med Chem 32: 1242-8 (1989)


BindingDB Entry DOI: 10.7270/Q2CR5TXJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50004107
PNG
(1-(1-Thiophen-2-yl-cyclohexyl)-piperidine | CHEMBL...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cccs1
Show InChI InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2
PDB

UniProtKB/SwissProt

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CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 240n/an/an/an/an/an/a



G. D. Searle& Co.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor


J Med Chem 32: 1242-8 (1989)


BindingDB Entry DOI: 10.7270/Q2CR5TXJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50004107
PNG
(1-(1-Thiophen-2-yl-cyclohexyl)-piperidine | CHEMBL...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cccs1
Show InChI InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain membranes


J Med Chem 35: 4683-9 (1993)


BindingDB Entry DOI: 10.7270/Q20865XT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50004107
PNG
(1-(1-Thiophen-2-yl-cyclohexyl)-piperidine | CHEMBL...)
Show SMILES C1CCN(CC1)C1(CCCCC1)c1cccs1
Show InChI InChI=1S/C15H23NS/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16/h7-8,13H,1-6,9-12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.06E+3n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes


J Med Chem 35: 4683-9 (1993)


BindingDB Entry DOI: 10.7270/Q20865XT
More data for this
Ligand-Target Pair