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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'yim' and Initial = 'm'   
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
CB1 cannabinoid receptor-interacting protein 1


(Homo sapiens (Human))
BDBM646494
PNG
(US20240024403, Compound Albanin)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6]-2-[#6](-[#6]-[#6](-[#6])=[#6]-[#6]-2-c2c(-[#8])cc(-[#8])c3c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c3=O)-c2ccc(-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |c:17|
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n/an/a 100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a 190n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554673
PNG
(CHEMBL4760204)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(N)=O |r|
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128343
PNG
(CHEMBL3629176)
Show SMILES N\C(=N/O)c1ccc(OCCCCC(=O)Nc2ccc3oc(Nc4ccccc4)nc3c2)cc1
Show InChI InChI=1S/C25H25N5O4/c26-24(30-32)17-9-12-20(13-10-17)33-15-5-4-8-23(31)27-19-11-14-22-21(16-19)29-25(34-22)28-18-6-2-1-3-7-18/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H2,26,30)(H,27,31)(H,28,29)
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n/an/a 560n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128344
PNG
(CHEMBL3629177)
Show SMILES COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C26H27N5O5/c1-34-20-12-7-18(8-13-20)29-26-30-22-16-19(9-14-23(22)36-26)28-24(32)4-2-3-15-35-21-10-5-17(6-11-21)25(27)31-33/h5-14,16,33H,2-4,15H2,1H3,(H2,27,31)(H,28,32)(H,29,30)
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n/an/a 580n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50128342
PNG
(CHEMBL3629175)
Show SMILES CCc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C27H29N5O4/c1-2-18-6-10-20(11-7-18)30-27-31-23-17-21(12-15-24(23)36-27)29-25(33)5-3-4-16-35-22-13-8-19(9-14-22)26(28)32-34/h6-15,17,34H,2-5,16H2,1H3,(H2,28,32)(H,29,33)(H,30,31)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50128342
PNG
(CHEMBL3629175)
Show SMILES CCc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C27H29N5O4/c1-2-18-6-10-20(11-7-18)30-27-31-23-17-21(12-15-24(23)36-27)29-25(33)5-3-4-16-35-22-13-8-19(9-14-22)26(28)32-34/h6-15,17,34H,2-5,16H2,1H3,(H2,28,32)(H,29,33)(H,30,31)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
CB1 cannabinoid receptor-interacting protein 1


(Homo sapiens (Human))
BDBM646495
PNG
(US20240024403, Compound Sanggenon)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]C12[#8]-c3c(-[#6]-4-[#6]=[#6](-[#6])-[#6]-[#6](-[#6]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])cc(-[#8])c3-[#6](=O)C1([#8])[#8]-c1cc(-[#8])ccc21 |t:10|
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50128343
PNG
(CHEMBL3629176)
Show SMILES N\C(=N/O)c1ccc(OCCCCC(=O)Nc2ccc3oc(Nc4ccccc4)nc3c2)cc1
Show InChI InChI=1S/C25H25N5O4/c26-24(30-32)17-9-12-20(13-10-17)33-15-5-4-8-23(31)27-19-11-14-22-21(16-19)29-25(34-22)28-18-6-2-1-3-7-18/h1-3,6-7,9-14,16,32H,4-5,8,15H2,(H2,26,30)(H,27,31)(H,28,29)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Mus musculus)
BDBM50128344
PNG
(CHEMBL3629177)
Show SMILES COc1ccc(Nc2nc3cc(NC(=O)CCCCOc4ccc(cc4)C(\N)=N\O)ccc3o2)cc1
Show InChI InChI=1S/C26H27N5O5/c1-34-20-12-7-18(8-13-20)29-26-30-22-16-19(9-14-23(22)36-26)28-24(32)4-2-3-15-35-21-10-5-17(6-11-21)25(27)31-33/h5-14,16,33H,2-4,15H2,1H3,(H2,27,31)(H,28,32)(H,29,30)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in mouse BMM cells assessed as formation of LTC4 after 30 mins by enzyme immunoassay


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM646494
PNG
(US20240024403, Compound Albanin)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6]-2-[#6](-[#6]-[#6](-[#6])=[#6]-[#6]-2-c2c(-[#8])cc(-[#8])c3c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c3=O)-c2ccc(-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |c:17|
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n/an/a 6.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
CB1 cannabinoid receptor-interacting protein 1


(Homo sapiens (Human))
BDBM646493
PNG
(US20240024403, Compound Kuwanon G)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6]-3-[#6]=[#6](-[#6])-[#6]-[#6](-[#6]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |t:11|
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n/an/a 1.01E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554676
PNG
(CHEMBL4788427)
Show SMILES [#6]-[#7]-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c(n1)-c1ccccc1
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n/an/a 1.64E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11


(Mus musculus)
BDBM50000541
PNG
((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...)
Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antiosteoclast activity in mouse BMM cells assessed as reduction of RANKL-induced osteoclasts differentiation by measuring TRAP positive multinucleat...


Bioorg Med Chem 23: 7069-78 (2015)


Article DOI: 10.1016/j.bmc.2015.09.025
BindingDB Entry DOI: 10.7270/Q23N256M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM646495
PNG
(US20240024403, Compound Sanggenon)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]C12[#8]-c3c(-[#6]-4-[#6]=[#6](-[#6])-[#6]-[#6](-[#6]-4-[#6](=O)-c4ccc(-[#8])cc4-[#8])-c4ccc(-[#8])cc4-[#8])c(-[#8])cc(-[#8])c3-[#6](=O)C1([#8])[#8]-c1cc(-[#8])ccc21 |t:10|
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n/an/a 2.40E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM646493
PNG
(US20240024403, Compound Kuwanon G)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6]-3-[#6]=[#6](-[#6])-[#6]-[#6](-[#6]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |t:11|
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n/an/a 2.89E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554672
PNG
(CHEMBL4758139)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
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n/an/a 2.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554674
PNG
(CHEMBL4777323)
Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2cn(nc2-c2ccccc2)-c2ccccc2)-[#6](=O)-[#7]-1
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n/an/a 3.22E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554675
PNG
(CHEMBL4792348)
Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2cn(-[#6]-c3ccccc3)nc2-c2ccccc2)-[#6](=O)-[#7]-1
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n/an/a 5.27E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50554677
PNG
(CHEMBL4765111)
Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6]-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)nc2-c2ccccc2)-[#6](=O)-[#7]-1
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n/an/a 7.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of 5-carboxyfluorescein-labeled PBD-binding peptide from PLk1 PBD (unknown origin) expressed in bacterial expression system incubated fo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01451
BindingDB Entry DOI: 10.7270/Q2W38105
More data for this
Ligand-Target Pair