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Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 49000996   
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
Sigma


(HUMAN)
BDBM50445185
PNG
(CHEMBL3103203)
Show SMILES CCCN(CCCc1ccccc1)CCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C20H25IN4/c1-2-13-25(14-6-9-17-7-4-3-5-8-17)15-12-18-10-11-20(23-24-22)19(21)16-18/h3-5,7-8,10-11,16H,2,6,9,12-15H2,1H3
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Article
PubMed
n/an/an/a 7.20n/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [125I]N-IAC44 from sigma 1 receptor (unknown origin)


J Med Chem 56: 9809-19 (2013)

More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50445186
PNG
(CHEMBL3103202)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2CCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C24H25IN4O4/c1-32-24(31)22-20-10-8-17(14-21(22)33-23(30)16-5-3-2-4-6-16)29(20)12-11-15-7-9-19(27-28-26)18(25)13-15/h2-7,9,13,17,20-22H,8,10-12,14H2,1H3/t17-,20+,21-,22+/m0/s1
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n/an/an/a 11n/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [125I]N-IACoc from sigma 1 receptor (unknown origin)


J Med Chem 56: 9809-19 (2013)

More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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n/an/an/a 11.6n/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding constant (Kd) for [3H]DTG binding to Sigma opioid receptor type 1 of guinea pig brain membranes at 5 uM BNIT


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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n/an/an/a 11.6n/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding constant (Kd) for [3H]-DTG binding to Sigma opioid receptor type 1 of guinea pig brain membranes at 200 nM concentration of the compound


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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n/an/an/a 13.6n/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding constant (Kd) for [3H]DTG binding to Sigma opioid receptor type 1 of guinea pig brain membranes at 1 uM BNIT


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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n/an/an/a 34.5n/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity to Sigma opioid receptor type 1 sites in guinea pig brain membranes at 0.1 uM of BNIT


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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PubMed
n/an/an/a 38.2n/an/an/an/an/a



George Washington University Medical Center

Curated by ChEMBL


Assay Description
Binding affinity against MCF cells in the membrane preparation using radioligand binding assay.


Citation and Details
More data for this
Ligand-Target Pair