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Compile Data Set for Download or QSAR

Found 934 hits with Last Name = 'otani' and Initial = 'y'   
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
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601663
PNG
(CHEMBL5208556)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)CC)C(O)=O)c1 |r|
PDB
MMDB

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n/an/a 3.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601663
PNG
(CHEMBL5208556)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)CC)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601671
PNG
(CHEMBL5180950)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)C(C)(C)C)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601671
PNG
(CHEMBL5180950)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)C(C)(C)C)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601668
PNG
(CHEMBL5187227)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](C)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601668
PNG
(CHEMBL5187227)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](C)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601664
PNG
(CHEMBL5196983)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)CCC)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601664
PNG
(CHEMBL5196983)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)CCC)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601682
PNG
(CHEMBL5173365)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(C)=O)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601682
PNG
(CHEMBL5173365)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601670
PNG
(CHEMBL5202805)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)CCCC)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601670
PNG
(CHEMBL5202805)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)CCCC)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601669
PNG
(CHEMBL5198736)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@@H](C)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601669
PNG
(CHEMBL5198736)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@@H](C)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601678
PNG
(CHEMBL5179787)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(OC)OC[C@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601678
PNG
(CHEMBL5179787)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(=O)(OC)OC[C@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601680
PNG
(CHEMBL5178904)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601680
PNG
(CHEMBL5178904)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601681
PNG
(CHEMBL5206354)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@H](C)[C@H](NC(C)=O)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601681
PNG
(CHEMBL5206354)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@H](C)[C@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601673
PNG
(CHEMBL5206379)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)c2ccc(C)cc2)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601673
PNG
(CHEMBL5206379)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)c2ccc(C)cc2)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601676
PNG
(CHEMBL5192494)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NCCCOP(O)(=O)OC[C@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601676
PNG
(CHEMBL5192494)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NCCCOP(O)(=O)OC[C@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601679
PNG
(CHEMBL5183032)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601679
PNG
(CHEMBL5183032)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@@H](NC(C)=O)C(O)=O)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601677
PNG
(CHEMBL5190878)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(C)=O)C(=O)OC)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601677
PNG
(CHEMBL5190878)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(C)=O)C(=O)OC)c1 |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601674
PNG
(CHEMBL5208758)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601674
PNG
(CHEMBL5208758)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OC[C@H](NC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50388826
PNG
(CHEMBL2062715)
Show SMILES Oc1c(Cl)c(N=CCN2CCCCC2)c(O)c2ncccc12 |w:5.4|
Show InChI InChI=1S/C16H18ClN3O2/c17-12-14(19-7-10-20-8-2-1-3-9-20)16(22)13-11(15(12)21)5-4-6-18-13/h4-7,21-22H,1-3,8-10H2
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Article
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n/an/a 740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25B in presence of 2 mM DTT


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50388826
PNG
(CHEMBL2062715)
Show SMILES Oc1c(Cl)c(N=CCN2CCCCC2)c(O)c2ncccc12 |w:5.4|
Show InChI InChI=1S/C16H18ClN3O2/c17-12-14(19-7-10-20-8-2-1-3-9-20)16(22)13-11(15(12)21)5-4-6-18-13/h4-7,21-22H,1-3,8-10H2
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n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25A in presence of 2 mM DTT


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601662
PNG
(CHEMBL5169487)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OCC(C)(C)C(O)=O)c1 |r|
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601662
PNG
(CHEMBL5169487)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)OCC(C)(C)C(O)=O)c1 |r|
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n/an/a 1.15E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50388822
PNG
(CHEMBL2062592)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(Cl)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(26-27(32)25(21-31)34-28(26)33)30-20-22-16-15-17-23(29)19-22/h15-17,19,25,30-31H,2-14,18,20-21H2,1H3
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n/an/a 1.43E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VHR


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50388821
PNG
(CHEMBL2062591)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(C)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27-28(32)26(22-31)34-29(27)33)30-21-24-18-16-17-23(2)20-24/h16-18,20,26,30-31H,3-15,19,21-22H2,1-2H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VHR


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50388809
PNG
(CHEMBL2062597)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(C)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27-28(32)26(22-31)34-29(27)33)30-21-24-19-17-23(2)18-20-24/h17-20,26,30-31H,3-16,21-22H2,1-2H3
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n/an/a 2.68E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VHR


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601675
PNG
(CHEMBL5199515)
Show SMILES CCCCCCCOc1ccccc1CCC(=O)NC[C@@H](C)COP(O)(=O)OC[C@H](NC(C)=O)C(O)=O |r|
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n/an/a>3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50388824
PNG
(CHEMBL2062594)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(O)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(26-27(32)25(21-30)34-28(26)33)29-20-22-16-15-17-23(31)19-22/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3
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n/an/a 3.15E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25B


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Mus musculus)
BDBM50601675
PNG
(CHEMBL5199515)
Show SMILES CCCCCCCOc1ccccc1CCC(=O)NC[C@@H](C)COP(O)(=O)OC[C@H](NC(C)=O)C(O)=O |r|
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n/an/a 3.16E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00347
BindingDB Entry DOI: 10.7270/Q2V69PNN
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50388809
PNG
(CHEMBL2062597)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(C)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27-28(32)26(22-31)34-29(27)33)30-21-24-19-17-23(2)18-20-24/h17-20,26,30-31H,3-16,21-22H2,1-2H3
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n/an/a 3.33E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25B


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50388810
PNG
(CHEMBL2062598)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(Cl)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26-27(32)25(21-31)34-28(26)33)30-20-22-16-18-23(29)19-17-22/h16-19,25,30-31H,2-15,20-21H2,1H3
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n/an/a 3.63E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VHR


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50388812
PNG
(CHEMBL2062707)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccc(O)cc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26-27(32)25(21-30)34-28(26)33)29-20-22-16-18-23(31)19-17-22/h16-19,25,29-31H,2-15,20-21H2,1H3
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n/an/a 4.23E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25B


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50388818
PNG
(CHEMBL2062712)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3
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n/an/a 4.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25B


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50388818
PNG
(CHEMBL2062712)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1O)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(26-27(32)25(21-30)34-28(26)33)29-20-22-17-15-16-19-24(22)31/h15-17,19,25,29-31H,2-14,18,20-21H2,1H3
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n/an/a 4.26E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25B in presence of 2 mM DTT


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50388823
PNG
(CHEMBL2062593)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(F)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42FNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(26-27(32)25(21-31)34-28(26)33)30-20-22-16-15-17-23(29)19-22/h15-17,19,25,30-31H,2-14,18,20-21H2,1H3
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n/an/a 4.69E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VHR


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50388807
PNG
(CHEMBL2062590)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(29-21-23-18-15-14-16-19-23)26-27(31)25(22-30)33-28(26)32/h14-16,18-19,25,29-30H,2-13,17,20-22H2,1H3
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n/an/a 4.88E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25A in presence of 100 mM DTT


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50388808
PNG
(CHEMBL2062596)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(c1)N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C30H48N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(28-29(34)27(23-33)36-30(28)35)31-22-24-18-17-19-25(21-24)32(2)3/h17-19,21,27,31,33H,4-16,20,22-23H2,1-3H3
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n/an/a 5.13E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VHR


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50388823
PNG
(CHEMBL2062593)
Show SMILES CCCCCCCCCCCCCCCC(NCc1cccc(F)c1)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C28H42FNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24(26-27(32)25(21-31)34-28(26)33)30-20-22-16-15-17-23(29)19-22/h15-17,19,25,30-31H,2-14,18,20-21H2,1H3
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n/an/a 5.13E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDC25B


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50388820
PNG
(CHEMBL2062714)
Show SMILES CCCCCCCCCCCCCCCC(NCc1ccccc1N(C)C)=C1C(=O)OC(CO)C1=O |w:15.15|
Show InChI InChI=1S/C30H48N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(28-29(34)27(23-33)36-30(28)35)31-22-24-19-17-18-21-26(24)32(2)3/h17-19,21,27,31,33H,4-16,20,22-23H2,1-3H3
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n/an/a 5.19E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VHR


ACS Med Chem Lett 3: 294-298 (2012)


Article DOI: 10.1021/ml2002778
BindingDB Entry DOI: 10.7270/Q2ZW1N0H
More data for this
Ligand-Target Pair
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