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23 similar compounds to monomer 50230235

Compile data set for download or QSAR
Wt: 894.9
BDBM50141238
Wt: 440.4
BDBM50073623
Wt: 440.4
BDBM50073632
Wt: 440.4
BDBM50073639
Wt: 440.4
BDBM50073642
Wt: 596.5
BDBM50117186
Wt: 597.5
BDBM50117187
Wt: 552.6
BDBM50117197
Wt: 420.7
BDBM50205982
Wt: 176.1
BDBM50230236
Wt: 426.5
BDBM50240775
Wt: 359.4
BDBM50256098
Wt: 493.5
BDBM50256057
Wt: 375.4
BDBM50255995
Wt: 309.3
BDBM50256055
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50141238,50073623,50073632,50073639,50073642,50117186,50117187,50117197,50205982,50230236,50240775,50256098,50256057,50255995,50256055   
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
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50117186
PNG
(CHEMBL3613342)
Show SMILES OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C31H31F3N4O5/c32-31(33,34)26-24(17-38(37-26)22-4-2-1-3-5-22)28(40)36-11-10-35-27(39)19-6-8-23(9-7-19)43-25-20-12-18-13-21(25)16-30(14-18,15-20)29(41)42/h1-9,17-18,20-21,25H,10-16H2,(H,35,39)(H,36,40)(H,41,42)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


Eur J Med Chem 101: 716-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50256098
PNG
(CHEMBL4072549)
Show SMILES OCCc1ccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2)cc1
Show InChI InChI=1S/C22H21N3O2/c26-13-11-15-6-8-17(9-7-15)24-20-14-19(16-4-2-1-3-5-16)25-18-10-12-23-22(27)21(18)20/h1-9,14,26H,10-13H2,(H,23,27)(H,24,25)
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n/an/a 12n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...


J Med Chem 61: 2472-2489 (2018)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50117197
PNG
(CHEMBL3613346)
Show SMILES OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCCNC(=O)c1ccc(cc1)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C34H36N2O5/c37-31(25-9-7-24(8-10-25)23-5-2-1-3-6-23)35-15-4-16-36-32(38)26-11-13-29(14-12-26)41-30-27-17-22-18-28(30)21-34(19-22,20-27)33(39)40/h1-3,5-14,22,27-28,30H,4,15-21H2,(H,35,37)(H,36,38)(H,39,40)
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Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in human Hep3B cells incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid sc...


Eur J Med Chem 101: 716-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50117186
PNG
(CHEMBL3613342)
Show SMILES OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)c1cn(nc1C(F)(F)F)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C31H31F3N4O5/c32-31(33,34)26-24(17-38(37-26)22-4-2-1-3-5-22)28(40)36-11-10-35-27(39)19-6-8-23(9-7-19)43-25-20-12-18-13-21(25)16-30(14-18,15-20)29(41)42/h1-9,17-18,20-21,25H,10-16H2,(H,35,39)(H,36,40)(H,41,42)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in human Hep3B cells incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid sc...


Eur J Med Chem 101: 716-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50117187
PNG
(CHEMBL3613341)
Show SMILES OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)c1nc(oc1C(F)(F)F)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C31H30F3N3O6/c32-31(33,34)25-23(37-28(43-25)19-4-2-1-3-5-19)27(39)36-11-10-35-26(38)18-6-8-22(9-7-18)42-24-20-12-17-13-21(24)16-30(14-17,15-20)29(40)41/h1-9,17,20-21,24H,10-16H2,(H,35,38)(H,36,39)(H,40,41)
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n/an/a 89n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in human Hep3B cells incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid sc...


Eur J Med Chem 101: 716-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50141238
PNG
(CHEMBL3138501)
Show SMILES CC(CCC(O)=O)C1CC[C@H]2[C@@H]3C(CC4CC(CC[C@]4(C)[C@H]3CC(OC(=O)\C=C\c3ccc(O)c(O)c3)[C@]12C)OC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1/C51H58O14/c1-28(4-16-45(58)59)34-11-12-35-49-36(27-44(51(34,35)3)65-48(62)19-10-31-7-15-39(54)42(57)24-31)50(2)21-20-33(63-46(60)17-8-29-5-13-37(52)40(55)22-29)25-32(50)26-43(49)64-47(61)18-9-30-6-14-38(53)41(56)23-30/h5-10,13-15,17-19,22-24,28,32-36,43-44,49,52-57H,4,11-12,16,20-21,25-27H2,1-3H3,(H,58,59)/b17-8+,18-9+,19-10+/t28?,32?,33?,34?,35-,36-,43?,44?,49-,50-,51+/s2
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n/an/a 970n/an/an/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


Bioorg Med Chem Lett 14: 1447-54 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.027
BindingDB Entry DOI: 10.7270/Q2B858PN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073623
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OC2CCC(CC2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C24H24O8/c25-19-9-1-15(13-21(19)27)3-11-23(29)31-17-5-7-18(8-6-17)32-24(30)12-4-16-2-10-20(26)22(28)14-16/h1-4,9-14,17-18,25-28H,5-8H2/b11-3+,12-4+
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073632
PNG
((Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(Z)-3...)
Show SMILES Oc1ccc(\C=C/C(=O)OC2CCCC(C2)OC(=O)\C=C/c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1/C24H24O8/c25-19-8-4-15(12-21(19)27)6-10-23(29)31-17-2-1-3-18(14-17)32-24(30)11-7-16-5-9-20(26)22(28)13-16/h4-13,17-18,25-28H,1-3,14H2/b10-6-,11-7-
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n/an/a 1.63E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073639
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 3-[(E)-3...)
Show SMILES Oc1ccc(\C=C\C(=O)OC2CCCC(C2)OC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1/C24H24O8/c25-19-8-4-15(12-21(19)27)6-10-23(29)31-17-2-1-3-18(14-17)32-24(30)11-7-16-5-9-20(26)22(28)13-16/h4-13,17-18,25-28H,1-3,14H2/b10-6+,11-7+
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50073642
PNG
((Z)-3-(3,4-Dihydroxy-phenyl)-acrylic acid 4-[(Z)-3...)
Show SMILES Oc1ccc(\C=C/C(=O)OC2CCC(CC2)OC(=O)\C=C/c2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C24H24O8/c25-19-9-1-15(13-21(19)27)3-11-23(29)31-17-5-7-18(8-6-17)32-24(30)12-4-16-2-10-20(26)22(28)14-16/h1-4,9-14,17-18,25-28H,5-8H2/b11-3-,12-4-
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.


J Med Chem 42: 497-509 (1999)


Article DOI: 10.1021/jm9804735
BindingDB Entry DOI: 10.7270/Q2G161J5
More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50205982
PNG
(CHEMBL3966561)
Show SMILES Cc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1-c1cncnc1
Show InChI InChI=1S/C18H12ClF3N6O/c1-10-2-3-15-25-12(8-27-14(19)5-13(26-27)18(20,21)22)4-16(29)28(15)17(10)11-6-23-9-24-7-11/h2-7,9H,8H2,1H3
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n/an/an/an/a 9.80E+3n/an/an/an/a



Genentech, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A receptor (unknown origin) expressed in CHO cells assessed as increase in glutamate-induced calcium flu...


ACS Med Chem Lett 8: 84-89 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00388
BindingDB Entry DOI: 10.7270/Q2VX0JH1
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50230236
PNG
(CHEMBL2112000)
Show SMILES Cc1[n+]([O-])ccc2[nH]c(=O)ccc12
Show InChI InChI=1S/C9H8N2O2/c1-6-7-2-3-9(12)10-8(7)4-5-11(6)13/h2-5H,1H3,(H,10,12)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against cAMP PDE III.


J Med Chem 35: 4858-65 (1992)


Article DOI: 10.1021/jm00104a012
BindingDB Entry DOI: 10.7270/Q2H13480
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50240775
PNG
(CHEMBL4102447)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cccs1
Show InChI InChI=1/C25H22N4OS/c1-16-20-12-18(9-10-22(20)29-28-16)21-13-19(14-26-25(21)24-8-5-11-31-24)27-23(15-30)17-6-3-2-4-7-17/h2-14,23,27,30H,15H2,1H3,(H,28,29)/t23-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR1 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50240775
PNG
(CHEMBL4102447)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cccs1
Show InChI InChI=1/C25H22N4OS/c1-16-20-12-18(9-10-22(20)29-28-16)21-13-19(14-26-25(21)24-8-5-11-31-24)27-23(15-30)17-6-3-2-4-7-17/h2-14,23,27,30H,15H2,1H3,(H,28,29)/t23-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR3 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50240775
PNG
(CHEMBL4102447)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cccs1
Show InChI InChI=1/C25H22N4OS/c1-16-20-12-18(9-10-22(20)29-28-16)21-13-19(14-26-25(21)24-8-5-11-31-24)27-23(15-30)17-6-3-2-4-7-17/h2-14,23,27,30H,15H2,1H3,(H,28,29)/t23-/s2
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n/an/a 100n/an/an/an/an/an/a



University of Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGFR2 using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA


J Med Chem 60: 6018-6035 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00076
BindingDB Entry DOI: 10.7270/Q2K939NC
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50255995
PNG
(CHEMBL4082556)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)-c2ccccc2OC)c1
Show InChI InChI=1S/C22H21N3O3/c1-27-15-7-5-6-14(12-15)24-19-13-18(16-8-3-4-9-20(16)28-2)25-17-10-11-23-22(26)21(17)19/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 32n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...


J Med Chem 61: 2472-2489 (2018)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50256055
PNG
(CHEMBL4077640)
Show SMILES COc1cccc(Nc2cc(nc3CCNC(=O)c23)C2CC2)c1
Show InChI InChI=1S/C18H19N3O2/c1-23-13-4-2-3-12(9-13)20-16-10-15(11-5-6-11)21-14-7-8-19-18(22)17(14)16/h2-4,9-11H,5-8H2,1H3,(H,19,22)(H,20,21)
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n/an/a 8.5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...


J Med Chem 61: 2472-2489 (2018)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50256057
PNG
(CHEMBL4071361)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cccc(c1)-c1cc(Nc2cccc(OC)c2)c2C(=O)NCCc2n1
Show InChI InChI=1S/C30H27N3O4/c1-3-37-30(35)20-12-10-19(11-13-20)21-6-4-7-22(16-21)26-18-27(28-25(33-26)14-15-31-29(28)34)32-23-8-5-9-24(17-23)36-2/h4-13,16-18H,3,14-15H2,1-2H3,(H,31,34)(H,32,33)
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n/an/a 7.20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4B1 using [3H]-cAMP as substrate preincubated for 15 mins followed substrate addition measured after 60 mins by sc...


J Med Chem 61: 2472-2489 (2018)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))
BDBM50117187
PNG
(CHEMBL3613341)
Show SMILES OC(=O)C12CC3CC(C1)C(Oc1ccc(cc1)C(=O)NCCNC(=O)c1nc(oc1C(F)(F)F)-c1ccccc1)C(C3)C2
Show InChI InChI=1/C31H30F3N3O6/c32-31(33,34)25-23(37-28(43-25)19-4-2-1-3-5-19)27(39)36-11-10-35-26(38)18-6-8-22(9-7-18)42-24-20-12-17-13-21(24)16-30(14-17,15-20)29(40)41/h1-9,17,20-21,24H,10-16H2,(H,35,38)(H,36,39)(H,40,41)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of mouse DGAT1 incubated for 60 mins using didecanoyl glycerol and [14C]decanoyl-CoA substrate by liquid scintillation counting and lumino...


Eur J Med Chem 101: 716-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.043
BindingDB Entry DOI: 10.7270/Q2B859WR
More data for this
Ligand-Target Pair