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11 similar compounds to monomer 50374600

Compile data set for download or QSAR
Wt: 316.4
BDBM93151
Wt: 330.4
BDBM93154
Wt: 358.5
BDBM93157
Wt: 330.4
BDBM93159
Wt: 304.4
BDBM50063802
Wt: 306.4
BDBM50063803
Wt: 352.4
BDBM50063805
Wt: 318.4
BDBM50063807
Wt: 304.4
BDBM50063800
Wt: 345.5
BDBM50374607
Wt: 336.4
BDBM50398057

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 93151,93154,93157,93159,50063802,50063803,50063805,50063807,50063800,50374607,50398057   
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 non-opioid intracellular receptor 1


(RAT)
BDBM50398057
PNG
(CHEMBL2181924)
Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2
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0.00250n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063800
PNG
(3-(2-Piperidin-1-yl-ethyl)-6-propyl-3H-benzothiazo...)
Show SMILES CCCc1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C17H24N2OS/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3
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0.600n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93151
PNG
(3-(1-piperidinoethyl)-6-propylbenzothiazoline-2-on...)
Show SMILES CCC(=C)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H24N2OS/c1-3-14(2)15-7-8-16-17(13-15)22-18(21)20(16)12-11-19-9-5-4-6-10-19/h7-8,13H,2-6,9-12H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50398057
PNG
(CHEMBL2181924)
Show SMILES FCCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H25FN2OS/c19-9-5-6-15-7-8-16-17(14-15)23-18(22)21(16)13-12-20-10-3-1-2-4-11-20/h7-8,14H,1-6,9-13H2
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0.960n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from Sigma1 receptor in rat liver homogenate


J Med Chem 55: 8272-82 (2012)


Article DOI: 10.1021/jm300371c
BindingDB Entry DOI: 10.7270/Q2V40WB0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93157
PNG
(3-{2-[(3aR,6aS)-3a,6a-dimethyl-octahydrocyclopenta...)
Show SMILES CCCc1ccc2n(CCN3C[C@@]4(C)CCC[C@@]4(C)C3)c(=O)sc2c1
Show InChI InChI=1S/C21H30N2OS/c1-4-6-16-7-8-17-18(13-16)25-19(24)23(17)12-11-22-14-20(2)9-5-10-21(20,3)15-22/h7-8,13H,4-6,9-12,14-15H2,1-3H3/t20-,21+
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1.40n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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2.25n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9724435 (2017)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Mus musculus (Mouse))
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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2.25n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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2.25n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9724435 (2017)

More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Mus musculus (Mouse))
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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2.25n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93154
PNG
(3-(2-cyclohexylethyl)-6-(pent-1-en-2-yl)-2,3-dihyd...)
Show SMILES CCCC(=C)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C19H26N2OS/c1-3-7-15(2)16-8-9-17-18(14-16)23-19(22)21(17)13-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair
Opioid receptor 1


(RAT)
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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4.66n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9724435 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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4.66n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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4.66n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9604926 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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4.66n/an/an/an/an/an/an/an/a



THE UNIVERSITY OF MISSISSIPPI; THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

US Patent


Assay Description
Compounds were evaluated for σ-1 and σ-2 binding in rat brain homogenates. Twelve concentrations of each test ligand (0.001-1,000 nM) were ...


US Patent US9724435 (2017)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50374607
PNG
(CHEMBL271975 | US9604926, Compound SN-97 | US97244...)
Show SMILES O=c1sc2ccccc2n1CCN1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C19H27N3OS/c23-19-22(17-8-4-5-9-18(17)24-19)15-12-20-10-13-21(14-11-20)16-6-2-1-3-7-16/h4-5,8-9,16H,1-3,6-7,10-15H2
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4.66n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by PDSP Ki Database


Assay Description
Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in rat brain homogenate


J Med Chem 51: 1482-6 (2008)


Article DOI: 10.1021/jm701357m
BindingDB Entry DOI: 10.7270/Q2736RTZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93151
PNG
(3-(1-piperidinoethyl)-6-propylbenzothiazoline-2-on...)
Show SMILES CCC(=C)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H24N2OS/c1-3-14(2)15-7-8-16-17(13-15)22-18(21)20(16)12-11-19-9-5-4-6-10-19/h7-8,13H,2-6,9-12H2,1H3
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18n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063807
PNG
(3-(2-Piperidin-1-yl-ethyl)-6-propionyl-3H-benzothi...)
Show SMILES CCC(=O)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C17H22N2O2S/c1-2-15(20)13-6-7-14-16(12-13)22-17(21)19(14)11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3
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47n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063805
PNG
(6-Benzoyl-3-(2-pyrrolidin-1-yl-ethyl)-3H-benzothia...)
Show SMILES O=C(c1ccccc1)c1ccc2n(CCN3CCCC3)c(=O)sc2c1
Show InChI InChI=1S/C20H20N2O2S/c23-19(15-6-2-1-3-7-15)16-8-9-17-18(14-16)25-20(24)22(17)13-12-21-10-4-5-11-21/h1-3,6-9,14H,4-5,10-13H2
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54n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063802
PNG
(6-Propionyl-3-(2-pyrrolidin-1-yl-ethyl)-3H-benzoth...)
Show SMILES CCC(=O)c1ccc2n(CCN3CCCC3)c(=O)sc2c1
Show InChI InChI=1S/C16H20N2O2S/c1-2-14(19)12-5-6-13-15(11-12)21-16(20)18(13)10-9-17-7-3-4-8-17/h5-6,11H,2-4,7-10H2,1H3
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571n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063803
PNG
(3-(2-Dimethylamino-ethyl)-6-pentanoyl-3H-benzothia...)
Show SMILES CCCCC(=O)c1ccc2n(CCN(C)C)c(=O)sc2c1
Show InChI InChI=1S/C16H22N2O2S/c1-4-5-6-14(19)12-7-8-13-15(11-12)21-16(20)18(13)10-9-17(2)3/h7-8,11H,4-6,9-10H2,1-3H3
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628n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93157
PNG
(3-{2-[(3aR,6aS)-3a,6a-dimethyl-octahydrocyclopenta...)
Show SMILES CCCc1ccc2n(CCN3C[C@@]4(C)CCC[C@@]4(C)C3)c(=O)sc2c1
Show InChI InChI=1S/C21H30N2OS/c1-4-6-16-7-8-17-18(13-16)25-19(24)23(17)12-11-22-14-20(2)9-5-10-21(20,3)15-22/h7-8,13H,4-6,9-12,14-15H2,1-3H3/t20-,21+
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>1.00E+3n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93154
PNG
(3-(2-cyclohexylethyl)-6-(pent-1-en-2-yl)-2,3-dihyd...)
Show SMILES CCCC(=C)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C19H26N2OS/c1-3-7-15(2)16-8-9-17-18(14-16)23-19(22)21(17)13-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93159
PNG
(1-(2-chloroethyl)piperidine, 19)
Show SMILES O=C(C1CC1)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H22N2O2S/c21-17(13-4-5-13)14-6-7-15-16(12-14)23-18(22)20(15)11-10-19-8-2-1-3-9-19/h6-7,12-13H,1-5,8-11H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

>1.00E+3n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM93159
PNG
(1-(2-chloroethyl)piperidine, 19)
Show SMILES O=C(C1CC1)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C18H22N2O2S/c21-17(13-4-5-13)14-6-7-15-16(12-14)23-18(22)20(15)11-10-19-8-2-1-3-9-19/h6-7,12-13H,1-5,8-11H2
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

>1.00E+3n/an/an/an/an/an/an/an/a



Universite de Lille



Assay Description
Binding assay using sigma receptors.


Medicinal Chemistry Research 14: 158-168 (2005)


BindingDB Entry DOI: 10.7270/Q2S75DZK
More data for this
Ligand-Target Pair