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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'adriani' and Initial = 'w'   
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
Sigma


(HUMAN)
BDBM50442742
PNG
(CHEMBL2442999)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-34-25-8-6-24(7-9-25)26-4-2-3-5-27(26)32-17-15-31(16-18-32)19-21-35-20-12-28(33)30-22-23-10-13-29-14-11-23/h2-11,13-14H,12,15-22H2,1H3,(H,30,33)
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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by radioligand binding assay


Bioorg Med Chem Lett 23: 6083-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.025
BindingDB Entry DOI: 10.7270/Q23T9JPT
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50442743
PNG
(CHEMBL2442998)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2cccnc2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-34-25-10-8-24(9-11-25)26-6-2-3-7-27(26)32-16-14-31(15-17-32)18-20-35-19-12-28(33)30-22-23-5-4-13-29-21-23/h2-11,13,21H,12,14-20,22H2,1H3,(H,30,33)
PDB

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by radioligand binding assay


Bioorg Med Chem Lett 23: 6083-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.025
BindingDB Entry DOI: 10.7270/Q23T9JPT
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by radioligand binding assay


Bioorg Med Chem Lett 23: 6083-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.025
BindingDB Entry DOI: 10.7270/Q23T9JPT
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50442745
PNG
(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by radioligand binding assay


Bioorg Med Chem Lett 23: 6083-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.025
BindingDB Entry DOI: 10.7270/Q23T9JPT
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50442744
PNG
(CHEMBL2442997)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCOCCC(=O)NCc2ccccn2)CC1
Show InChI InChI=1S/C28H34N4O3/c1-34-25-11-9-23(10-12-25)26-7-2-3-8-27(26)32-17-15-31(16-18-32)19-21-35-20-13-28(33)30-22-24-6-4-5-14-29-24/h2-12,14H,13,15-22H2,1H3,(H,30,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL


Assay Description
Binding affinity to sigma 1 receptor (unknown origin) by radioligand binding assay


Bioorg Med Chem Lett 23: 6083-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.025
BindingDB Entry DOI: 10.7270/Q23T9JPT
More data for this
Ligand-Target Pair