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46 similar compounds to monomer 50156203

Compile data set for download or QSAR
Wt: 378.3
BDBM50215743
Wt: 413.9
BDBM50036878
Wt: 298.4
BDBM50135784
Wt: 384.5
BDBM50135786
Wt: 314.4
BDBM50135787
Wt: 330.4
BDBM50135791
Wt: 476.5
BDBM50129689
Wt: 561.7
BDBM50129695
Wt: 533.6
BDBM50129697
Wt: 613.5
BDBM50129698
Wt: 505.6
BDBM50129699
Wt: 579.3
BDBM50112356
Wt: 598.5
BDBM50129704
Wt: 504.6
BDBM50129705
Wt: 516.6
BDBM50129708
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50215743,50036878,50135784,50135786,50135787,50135791,50129689,50129695,50129697,50129698,50129699,50112356,50129704,50129705,50129708   
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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50135786
PNG
(CHEMBL3754325)
Show SMILES CCCCCCC1=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCC2=C(O)C1=O
Show InChI InChI=1S/C25H36O3/c1-4-5-6-7-8-16-15-25(3)19-13-14-24(2)18(11-12-21(24)26)17(19)9-10-20(25)23(28)22(16)27/h15,17-19,28H,4-14H2,1-3H3/t17-,18-,19-,24-,25+/m0/s1
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31n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD


Eur J Med Chem 105: 1-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50135784
PNG
(CHEMBL3754183)
Show SMILES CC1=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCC2=CC1=O
Show InChI InChI=1S/C20H26O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h10-11,14-16H,4-9H2,1-3H3/t14-,15-,16-,19-,20-/m0/s1
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46n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD


Eur J Med Chem 105: 1-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50135791
PNG
(CHEMBL2112739)
Show SMILES CC(=O)O[C@H]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C12
Show InChI InChI=1S/C21H30O3/c1-13(22)24-18-5-4-11-20(2)16-10-12-21(3)15(8-9-19(21)23)14(16)6-7-17(18)20/h7,14-16,18H,4-6,8-12H2,1-3H3/t14-,15-,16-,18-,20+,21-/m0/s1
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90n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD


Eur J Med Chem 105: 1-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50135787
PNG
(CHEMBL3753272)
Show SMILES COC1=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCC2=CC1=O
Show InChI InChI=1S/C20H26O3/c1-19-9-8-15-13(14(19)6-7-18(19)22)5-4-12-10-16(21)17(23-3)11-20(12,15)2/h10-11,13-15H,4-9H2,1-3H3/t13-,14-,15-,19-,20-/m0/s1
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95n/an/an/an/an/an/an/an/a



The M. S. University of Baroda

Curated by ChEMBL


Assay Description
Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD


Eur J Med Chem 105: 1-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.038
BindingDB Entry DOI: 10.7270/Q2W66NMZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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510n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human LAR using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase mu (PTPμ)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPmu using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase gamma


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPgamma using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon (PTPε)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPepsilon using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPbeta using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase alpha


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPalpha using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase MEG2 (PTP-Meg2)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human Meg2 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human HePTP using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human LYP using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTP1B using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human SHP1 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129689
PNG
(CHEMBL3629065)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C26H41N2O4P/c1-6-31-33(30,32-7-2)24(25(3,4)5)28-22-10-8-21(9-11-22)27-23(29)26-15-18-12-19(16-26)14-20(13-18)17-26/h8-11,18-20,24,28H,6-7,12-17H2,1-5H3,(H,27,29)
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n/an/a 37n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129695
PNG
(CHEMBL3628780)
Show SMILES CC(C)COP(=O)(OCC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C31H52N3O4P/c1-21(2)19-37-39(36,38-20-22(3)4)28(30(5,6)7)33-27-10-8-23(9-11-27)18-32-29(35)34-31-15-24-12-25(16-31)14-26(13-24)17-31/h8-11,21-22,24-26,28,33H,12-20H2,1-7H3,(H2,32,34,35)
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n/an/a 1.80n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129697
PNG
(CHEMBL3628778)
Show SMILES CC(C)OP(=O)(OC(C)C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C29H48N3O4P/c1-19(2)35-37(34,36-20(3)4)26(28(5,6)7)31-25-10-8-21(9-11-25)18-30-27(33)32-29-15-22-12-23(16-29)14-24(13-22)17-29/h8-11,19-20,22-24,26,31H,12-18H2,1-7H3,(H2,30,32,33)
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n/an/a 1.70n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129698
PNG
(CHEMBL3628777)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F
Show InChI InChI=1S/C27H38F6N3O4P/c1-24(2,3)22(41(38,39-15-26(28,29)30)40-16-27(31,32)33)35-21-6-4-17(5-7-21)14-34-23(37)36-25-11-18-8-19(12-25)10-20(9-18)13-25/h4-7,18-20,22,35H,8-16H2,1-3H3,(H2,34,36,37)
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n/an/a 3.80n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129699
PNG
(CHEMBL3628776)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C
Show InChI InChI=1S/C27H44N3O4P/c1-6-33-35(32,34-7-2)24(26(3,4)5)29-23-10-8-19(9-11-23)18-28-25(31)30-27-15-20-12-21(16-27)14-22(13-20)17-27/h8-11,20-22,24,29H,6-7,12-18H2,1-5H3,(H2,28,30,31)
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n/an/a 0.960n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129704
PNG
(CHEMBL3628771)
Show SMILES CC(C)(C)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F
Show InChI InChI=1S/C27H37F6N2O4P/c1-24(2,3)23(40(37,38-15-26(28,29)30)39-16-27(31,32)33)35-21-6-4-17(5-7-21)14-34-22(36)25-11-18-8-19(12-25)10-20(9-18)13-25/h4-7,18-20,23,35H,8-16H2,1-3H3,(H,34,36)
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n/an/a 30n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129705
PNG
(CHEMBL3628770)
Show SMILES CCOP(=O)(OCC)C(CC(C)(C)C)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
Show InChI InChI=1S/C28H45N2O4P/c1-6-33-35(32,34-7-2)25(18-27(3,4)5)30-24-10-8-20(9-11-24)19-29-26(31)28-15-21-12-22(16-28)14-23(13-21)17-28/h8-11,21-23,25,30H,6-7,12-19H2,1-5H3,(H,29,31)
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n/an/a 41n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50129708
PNG
(CHEMBL3628767)
Show SMILES CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C1CCCCC1
Show InChI InChI=1S/C29H45N2O4P/c1-3-34-36(33,35-4-2)27(25-8-6-5-7-9-25)31-26-12-10-21(11-13-26)20-30-28(32)29-17-22-14-23(18-29)16-24(15-22)19-29/h10-13,22-25,27,31H,3-9,14-20H2,1-2H3,(H,30,32)
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n/an/a 46n/an/an/an/an/an/a



Ehime University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus infected insect Sf9 cells using CMNPC as substrate assessed as 6-methoxy-2-naphthadehyde...


Bioorg Med Chem 23: 7199-210 (2015)


Article DOI: 10.1016/j.bmc.2015.10.016
BindingDB Entry DOI: 10.7270/Q20P11VH
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215743
PNG
(CHEMBL51219)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1ccc(F)cc1C(O)=O
Show InChI InChI=1S/C23H19FO4/c24-17-7-9-18(20(12-17)23(26)27)15-6-8-19-21(11-15)28-13-16(22(19)25)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,25H,10,13H2,(H,26,27)/t16-,22+/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4 binding to LTB receptors on isolated human neutrophils.


Bioorg Med Chem Lett 8: 1781-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00275-3
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human VHR using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase CDC14A


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human CDC14A using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human LMWPTP using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50215743
PNG
(CHEMBL51219)
Show SMILES O[C@@H]1[C@@H](Cc2ccccc2)COc2cc(ccc12)-c1ccc(F)cc1C(O)=O
Show InChI InChI=1S/C23H19FO4/c24-17-7-9-18(20(12-17)23(26)27)15-6-8-19-21(11-15)28-13-16(22(19)25)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,25H,10,13H2,(H,26,27)/t16-,22+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Ability to inhibit LTB4-induced chemotaxis of isolated human neutrophils.


Bioorg Med Chem Lett 8: 1781-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00275-3
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036878
PNG
(CHEMBL3355249)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c(C)c([nH]2)C(C)(C)C)c1O
Show InChI InChI=1S/C18H24ClN3O4S/c1-9(2)27(25,26)14-11(19)7-8-12(13(14)23)20-17-21-15(18(4,5)6)10(3)16(24)22-17/h7-9,23H,1-6H3,(H2,20,21,22,24)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
BindingDB Entry DOI: 10.7270/Q21V5GKV
More data for this
Ligand-Target Pair
Protein phosphatase 5 (PP5)


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PP5 using pNPP as a substrate after 10 mins by spectrophotometer analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair