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18 similar compounds to monomer 50068026

Compile data set for download or QSAR
Wt: 104.1
BDBM50224861
Wt: 584.8
BDBM50050952
Wt: 584.8
BDBM50050955
Purchase
Wt: 556.7
BDBM50292431
Purchase
Wt: 758.9
BDBM50303219
Wt: 523.5
BDBM50096350
Wt: 495.5
BDBM50096352
Wt: 535.6
BDBM50096351
Wt: 497.5
BDBM50096353
Wt: 441.4
BDBM50096354
Wt: 411.4
BDBM50155675
Wt: 404.4
BDBM50155676
Wt: 429.9
BDBM50194137
Wt: 148.2
BDBM50224862
Wt: 154.2
BDBM50224863
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 50224861,50050952,50050955,50292431,50303219,50096350,50096352,50096351,50096353,50096354,50155675,50155676,50194137,50224862,50224863   
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
Alcohol dehydrogenase


(Equus caballus)
BDBM50224861
PNG
(TETRAMETHYLENE SULFOXIDE | Tetrahydro-Thiophene-1-...)
Show SMILES [O-][S+]1CCCC1
Show InChI InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
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1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224862
PNG
(1-Methanesulfinyl-Hexane | CHEMBL355227)
Show SMILES CCCCCC[S+](C)[O-]
Show InChI InChI=1/C7H16OS/c1-3-4-5-6-7-9(2)8/h3-7H2,1-2H3
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4.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Alcohol dehydrogenase


(Equus caballus)
BDBM50224863
PNG
(CHEMBL174361 | Methanesulfinylmethyl-Benzene)
Show SMILES C[S+]([O-])Cc1ccccc1
Show InChI InChI=1/C8H10OS/c1-10(9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
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5.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
BindingDB Entry DOI: 10.7270/Q2PR7Z5W
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/s2
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n/an/an/an/a 1.35E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096353
PNG
(CHEMBL3577145)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/t19-,20+/s2
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n/an/an/an/a 288n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096354
PNG
(CHEMBL3577147)
Show SMILES CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C18H36NO9P/c1-2-3-4-5-6-7-8-9-10-11-17(21)26-12-15(20)13-27-29(24,25)28-14-16(19)18(22)23/h15-16,20H,2-14,19H2,1H3,(H,22,23)(H,24,25)/t15-,16+/s2
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n/an/an/an/a 832n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/s2
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n/an/an/an/a 39n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096351
PNG
(CHEMBL3577140)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)(C)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C26H50NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)33-21-26(2,3)22-35-36(31,32)34-20-23(27)25(29)30/h11-12,23H,4-10,13-22,27H2,1-3H3,(H,29,30)(H,31,32)/b12-11-/t23-/s2
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n/an/an/an/a 59n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/s2
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n/an/an/an/a 85n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096353
PNG
(CHEMBL3577145)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/t19-,20+/s2
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n/an/an/an/a 26n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096354
PNG
(CHEMBL3577147)
Show SMILES CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C18H36NO9P/c1-2-3-4-5-6-7-8-9-10-11-17(21)26-12-15(20)13-27-29(24,25)28-14-16(19)18(22)23/h15-16,20H,2-14,19H2,1H3,(H,22,23)(H,24,25)/t15-,16+/s2
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n/an/an/an/a 933n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/s2
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n/an/an/an/a 1.91E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/s2
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n/an/an/an/a 288n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096353
PNG
(CHEMBL3577145)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/t19-,20+/s2
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n/an/an/an/a 537n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096354
PNG
(CHEMBL3577147)
Show SMILES CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C18H36NO9P/c1-2-3-4-5-6-7-8-9-10-11-17(21)26-12-15(20)13-27-29(24,25)28-14-16(19)18(22)23/h15-16,20H,2-14,19H2,1H3,(H,22,23)(H,24,25)/t15-,16+/s2
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n/an/an/an/a 1.78E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096351
PNG
(CHEMBL3577140)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)(C)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C26H50NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)33-21-26(2,3)22-35-36(31,32)34-20-23(27)25(29)30/h11-12,23H,4-10,13-22,27H2,1-3H3,(H,29,30)(H,31,32)/b12-11-/t23-/s2
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n/an/an/an/a 320n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/s2
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n/an/an/an/a 410n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/s2
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n/an/an/an/a 1.40E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096353
PNG
(CHEMBL3577145)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/t19-,20+/s2
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n/an/an/an/a 290n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096354
PNG
(CHEMBL3577147)
Show SMILES CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C18H36NO9P/c1-2-3-4-5-6-7-8-9-10-11-17(21)26-12-15(20)13-27-29(24,25)28-14-16(19)18(22)23/h15-16,20H,2-14,19H2,1H3,(H,22,23)(H,24,25)/t15-,16+/s2
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n/an/an/an/a 840n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/s2
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n/an/an/an/a 39n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096351
PNG
(CHEMBL3577140)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)(C)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C26H50NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)33-21-26(2,3)22-35-36(31,32)34-20-23(27)25(29)30/h11-12,23H,4-10,13-22,27H2,1-3H3,(H,29,30)(H,31,32)/b12-11-/t23-/s2
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n/an/an/an/a 58n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/s2
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n/an/an/an/a 86n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096353
PNG
(CHEMBL3577145)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/t19-,20+/s2
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n/an/an/an/a 26n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096354
PNG
(CHEMBL3577147)
Show SMILES CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C18H36NO9P/c1-2-3-4-5-6-7-8-9-10-11-17(21)26-12-15(20)13-27-29(24,25)28-14-16(19)18(22)23/h15-16,20H,2-14,19H2,1H3,(H,22,23)(H,24,25)/t15-,16+/s2
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n/an/an/an/a 940n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/s2
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n/an/an/an/a 1.90E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096352
PNG
(CHEMBL3577144)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h7-8,19-20,24H,2-6,9-18,23H2,1H3,(H,26,27)(H,28,29)/b8-7-/t19-,20+/s2
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n/an/an/an/a 290n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096353
PNG
(CHEMBL3577145)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)30-16-19(24)17-31-33(28,29)32-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/t19-,20+/s2
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n/an/an/an/a 540n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096354
PNG
(CHEMBL3577147)
Show SMILES CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C18H36NO9P/c1-2-3-4-5-6-7-8-9-10-11-17(21)26-12-15(20)13-27-29(24,25)28-14-16(19)18(22)23/h15-16,20H,2-14,19H2,1H3,(H,22,23)(H,24,25)/t15-,16+/s2
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n/an/an/an/a 1.80E+3n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens (Human))
BDBM50155676
PNG
(CHEMBL3781161)
Show SMILES COc1c(F)cccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-18(23)8-5-9-19(20)27-10-12-28(13-11-27)21-17-14-26-29(22(17)25-15-24-21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human GLUT3 expressed in GLUT1 knock-out DLD1 cells assessed as ATP production co-incubated with 300 mM glucose for 16 hrs by CellTiter...


Bioorg Med Chem Lett 26: 1732-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 3


(Homo sapiens (Human))
BDBM50155675
PNG
(CHEMBL3781447)
Show SMILES COc1c(cccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-17(14-24)6-5-9-20(21)28-10-12-29(13-11-28)22-19-15-27-30(23(19)26-16-25-22)18-7-3-2-4-8-18/h2-9,15-16H,10-13H2,1H3
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n/an/a 540n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human GLUT3 expressed in GLUT1 knock-out DLD1 cells assessed as ATP production co-incubated with 300 mM glucose for 16 hrs by CellTiter...


Bioorg Med Chem Lett 26: 1732-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Glucose transporter


(Homo sapiens (Human))
BDBM50155676
PNG
(CHEMBL3781161)
Show SMILES COc1c(F)cccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-18(23)8-5-9-19(20)27-10-12-28(13-11-27)21-17-14-26-29(22(17)25-15-24-21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human GLUT1 expressed in DLD1 cells assessed as ATP production co-incubated with 100 mM glucose for 16 hrs by CellTiter-Glo assay in pr...


Bioorg Med Chem Lett 26: 1732-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 2


(Homo sapiens (Human))
BDBM50155675
PNG
(CHEMBL3781447)
Show SMILES COc1c(cccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-17(14-24)6-5-9-20(21)28-10-12-29(13-11-28)22-19-15-27-30(23(19)26-16-25-22)18-7-3-2-4-8-18/h2-9,15-16H,10-13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human GLUT2 expressed in CHO cells assessed as ATP production co-incubated with 30 mM fructose for 16 hrs by CellTiter-Glo assay in pre...


Bioorg Med Chem Lett 26: 1732-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Solute carrier family 2, facilitated glucose transporter member 2


(Homo sapiens (Human))
BDBM50155676
PNG
(CHEMBL3781161)
Show SMILES COc1c(F)cccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C22H21FN6O/c1-30-20-18(23)8-5-9-19(20)27-10-12-28(13-11-27)21-17-14-26-29(22(17)25-15-24-21)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human GLUT2 expressed in CHO cells assessed as ATP production co-incubated with 30 mM fructose for 16 hrs by CellTiter-Glo assay in pre...


Bioorg Med Chem Lett 26: 1732-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Glucose transporter


(Homo sapiens (Human))
BDBM50155675
PNG
(CHEMBL3781447)
Show SMILES COc1c(cccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)C#N
Show InChI InChI=1S/C23H21N7O/c1-31-21-17(14-24)6-5-9-20(21)28-10-12-29(13-11-28)22-19-15-27-30(23(19)26-16-25-22)18-7-3-2-4-8-18/h2-9,15-16H,10-13H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human GLUT1 expressed in DLD1 cells assessed as ATP production co-incubated with 100 mM glucose for 16 hrs by CellTiter-Glo assay in pr...


Bioorg Med Chem Lett 26: 1732-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.050
BindingDB Entry DOI: 10.7270/Q2639RM3
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50292431
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/s2
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n/an/a 4.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC delta


J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50292431
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/s2
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n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC beta2


J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50292431
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/s2
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n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC epsilon


J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50303219
PNG
(4,4'-((1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13bR)-9-...)
Show SMILES CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)[C@@](C)(COC(=O)CCC(O)=O)[C@@H]5CC[C@@]34C)[C@@H]12
Show InChI InChI=1/C42H62O12/c1-25(2)26-15-20-42(24-53-35(50)13-10-32(45)46)22-21-40(5)27(37(26)42)7-8-29-38(3)18-17-30(54-36(51)14-11-33(47)48)39(4,28(38)16-19-41(29,40)6)23-52-34(49)12-9-31(43)44/h26-30,37H,1,7-24H2,2-6H3,(H,43,44)(H,45,46)(H,47,48)/t26-,27+,28+,29+,30-,37+,38-,39-,40+,41+,42+/s2
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n/an/a 9.78E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins


Bioorg Med Chem Lett 19: 6966-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.055
BindingDB Entry DOI: 10.7270/Q28G8MNX
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50292431
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1/C34H52O6/c1-20(2)21-12-17-34(29(38)39)19-18-32(6)22(28(21)34)8-9-24-31(5)15-14-25(40-27(37)11-10-26(35)36)30(3,4)23(31)13-16-33(24,32)7/h21-25,28H,1,8-19H2,2-7H3,(H,35,36)(H,38,39)/t21-,22+,23-,24+,25-,28+,31-,32+,33+,34-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universite Louis Pasteur

Curated by ChEMBL


Assay Description
Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay


J Med Chem 53: 178-90 (2010)


Article DOI: 10.1021/jm900872z
BindingDB Entry DOI: 10.7270/Q2RJ4KDW
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50194137
PNG
(CHEMBL3922684)
Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1
Show InChI InChI=1/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/s2
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n/an/a 23n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human whole blood assessed as reduction in LPS-induced PGE2 production preincubated for 30 mins followed by LPS stimulation ...


Bioorg Med Chem Lett 26: 4824-4828 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.023
BindingDB Entry DOI: 10.7270/Q2125VMX
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50194137
PNG
(CHEMBL3922684)
Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1
Show InChI InChI=1/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/s2
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n/an/a 30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in recombinant human interleukin-1 beta-induced PGE2 production preincubated for 30 m...


Bioorg Med Chem Lett 26: 4824-4828 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.023
BindingDB Entry DOI: 10.7270/Q2125VMX
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50194137
PNG
(CHEMBL3922684)
Show SMILES CC1(C)CN(CC[C@@H]1C(=O)N[C@@H]1CC[C@H](CO)CC1)c1ccc2cccc(Cl)c2n1
Show InChI InChI=1/C24H32ClN3O2/c1-24(2)15-28(21-11-8-17-4-3-5-20(25)22(17)27-21)13-12-19(24)23(30)26-18-9-6-16(14-29)7-10-18/h3-5,8,11,16,18-19,29H,6-7,9-10,12-15H2,1-2H3,(H,26,30)/t16-,18+,19-/s2
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n/an/a 4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 expressed in 293E cells assessed as reduction in conversion of PGH2 to PGE2 after 1.5 min by LC/MS analysis


Bioorg Med Chem Lett 26: 4824-4828 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.023
BindingDB Entry DOI: 10.7270/Q2125VMX
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096351
PNG
(CHEMBL3577140)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)(C)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C26H50NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)33-21-26(2,3)22-35-36(31,32)34-20-23(27)25(29)30/h11-12,23H,4-10,13-22,27H2,1-3H3,(H,29,30)(H,31,32)/b12-11-/t23-/s2
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n/an/an/an/a 316n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096350
PNG
(CHEMBL3577138)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)COP(O)(=O)OC[C@H](N)C(O)=O
Show InChI InChI=1/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22-/s2
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n/an/an/an/a 417n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay


J Med Chem 58: 4204-19 (2015)


Article DOI: 10.1021/jm5020082
BindingDB Entry DOI: 10.7270/Q2Q81FTD
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50050952
PNG
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(3-c...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(29(39)40)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-30(41)31(3,4)20-27(37)38)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,37,38)(H,39,40)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
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n/an/a>1.71E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-RT


J Med Chem 39: 1016-7 (1996)


Article DOI: 10.1021/jm950922q
BindingDB Entry DOI: 10.7270/Q2PN94QV
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50050955
PNG
(2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,...)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
Show InChI InChI=1/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/s2
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n/an/a>1.71E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-RT


J Med Chem 39: 1016-7 (1996)


Article DOI: 10.1021/jm950922q
BindingDB Entry DOI: 10.7270/Q2PN94QV
More data for this
Ligand-Target Pair