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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50036077   
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 non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50367061
PNG
(NALORPHINE | NALORPHINE HYDROCHLORIDE)
Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17|
Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
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KEGG
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PC sid
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PubMed
n/an/a 48n/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 binding site 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))
BDBM50019742
PNG
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)
Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r|
Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+
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n/an/a 450n/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [3H]3-PPP to sigma binding site 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
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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))
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 |r|
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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antibodypedia
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KEGG
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PubMed
n/an/a>1.00E+4n/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