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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'ahmad' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1


(Homo sapiens)
BDBM50356009
PNG
(CHEMBL1911368)
Show SMILES COc1cc2c(CNS(=O)(=O)C(F)(F)F)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H23F3N2O6S/c1-13(2)34-16-7-5-6-14(8-16)22(29)21-18-10-20(33-4)19(32-3)9-17(18)15(11-27-21)12-28-35(30,31)23(24,25)26/h5-11,13,28H,12H2,1-4H3
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300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of GFAT in presence of glutamine


Bioorg Med Chem Lett 21: 6264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.009
BindingDB Entry DOI: 10.7270/Q21J9B6P
More data for this
Ligand-Target Pair
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1


(Homo sapiens)
BDBM50356009
PNG
(CHEMBL1911368)
Show SMILES COc1cc2c(CNS(=O)(=O)C(F)(F)F)cnc(C(=O)c3cccc(OC(C)C)c3)c2cc1OC
Show InChI InChI=1S/C23H23F3N2O6S/c1-13(2)34-16-7-5-6-14(8-16)22(29)21-18-10-20(33-4)19(32-3)9-17(18)15(11-27-21)12-28-35(30,31)23(24,25)26/h5-11,13,28H,12H2,1-4H3
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300n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of GFAT in presence of fructose-6-phosphate


Bioorg Med Chem Lett 21: 6264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.009
BindingDB Entry DOI: 10.7270/Q21J9B6P
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341785
PNG
((1R,2R)-2-(3'-fluoro-4'-(3-phenylureido)biphenylca...)
Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)c(F)c1
Show InChI InChI=1S/C26H23FN2O4/c27-22-15-18(13-14-23(22)29-26(33)28-19-5-2-1-3-6-19)16-9-11-17(12-10-16)24(30)20-7-4-8-21(20)25(31)32/h1-3,5-6,9-15,20-21H,4,7-8H2,(H,31,32)(H2,28,29,33)/t20-,21-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341766
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(nc1)N1CC(F)(F)C1)-c1ccccc1
Show InChI InChI=1S/C19H13F5N4O2/c20-18(21)9-28(10-18)13-7-6-12(8-25-13)26-16(29)14-15(19(22,23)24)30-17(27-14)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,26,29)
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n/an/a 16n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004244
PNG
(CHEMBL3237461)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C24H18N4O3S/c1-15-23-22(18-7-3-6-10-21(18)32(29,30)27(23)2)26-28(15)17-13-11-16(12-14-17)24-25-19-8-4-5-9-20(19)31-24/h3-14H,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004238
PNG
(CHEMBL3237453)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C25H19N5O4S/c1-14-23-22(18-5-3-4-6-21(18)35(33,34)29(23)2)28-30(14)17-10-7-15(8-11-17)24-26-19-12-9-16(25(31)32)13-20(19)27-24/h3-13H,1-2H3,(H,26,27)(H,31,32)
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n/an/a 26n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341768
PNG
(4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbony...)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C22H20F3N5O4/c1-33-21(32)30-11-9-29(10-12-30)16-8-7-15(13-26-16)27-19(31)17-18(22(23,24)25)34-20(28-17)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,27,31)
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n/an/a 28n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341778
PNG
(4-(4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carb...)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCN(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C28H28F3N5O5/c29-28(30,31)23-22(34-25(41-23)17-4-2-1-3-5-17)24(37)33-20-10-11-21(32-16-20)35-12-14-36(15-13-35)26(38)18-6-8-19(9-7-18)27(39)40/h1-5,10-11,16,18-19H,6-9,12-15H2,(H,33,37)(H,39,40)/t18-,19-
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n/an/a 35n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341760
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
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n/an/a 38n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341760
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
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n/an/a 38n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using [14C]palmitic acid by TLC analysis


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341760
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
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n/an/a 38n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341770
PNG
(4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbony...)
Show SMILES CCOC(=O)N1CCN(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C23H22F3N5O4/c1-2-34-22(33)31-12-10-30(11-13-31)17-9-8-16(14-27-17)28-20(32)18-19(23(24,25)26)35-21(29-18)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H,28,32)
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n/an/a 41n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004241
PNG
(CHEMBL3233057)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C25H21N5O2S/c1-15-8-13-20-21(14-15)27-25(26-20)17-9-11-18(12-10-17)30-16(2)24-23(28-30)19-6-4-5-7-22(19)33(31,32)29(24)3/h4-14H,1-3H3,(H,26,27)
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n/an/a 41n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004240
PNG
(CHEMBL3237456)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H19N5O2S/c1-15-23-22(18-7-3-6-10-21(18)32(30,31)28(23)2)27-29(15)17-13-11-16(12-14-17)24-25-19-8-4-5-9-20(19)26-24/h3-14H,1-2H3,(H,25,26)
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n/an/a 43n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004248
PNG
(CHEMBL3237466)
Show SMILES CN1c2c(nn(c2-c2ccccc2)-c2ccc(cc2)-c2nc3ccccc3[nH]2)-c2ccccc2S1(=O)=O
Show InChI InChI=1S/C29H21N5O2S/c1-33-28-26(22-11-5-8-14-25(22)37(33,35)36)32-34(27(28)19-9-3-2-4-10-19)21-17-15-20(16-18-21)29-30-23-12-6-7-13-24(23)31-29/h2-18H,1H3,(H,30,31)
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n/an/a 43n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341784
PNG
(CHEMBL1766894 | N-(2-(2-phenyl-5-(trifluoromethyl)...)
Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)NCCNC(=O)c1[nH]c(nc1C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C21H17F6N5O3/c22-20(23,24)11-35-14-7-6-13(10-30-14)18(33)28-8-9-29-19(34)15-16(21(25,26)27)32-17(31-15)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,28,33)(H,29,34)(H,31,32)
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n/an/a 44n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected Sf9 cells using [14C]oleoyl-CoA after 15 mins by TLC analysis


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341763
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ncc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C19H18F3N5O3/c1-27(8-9-29-2)18-23-10-13(11-24-18)25-16(28)14-15(19(20,21)22)30-17(26-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,25,28)
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n/an/a 48n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004239
PNG
(CHEMBL3237455)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C24H18BrN5O2S/c1-14-23-22(18-5-3-4-6-21(18)33(31,32)29(23)2)28-30(14)17-10-7-15(8-11-17)24-26-19-12-9-16(25)13-20(19)27-24/h3-13H,1-2H3,(H,26,27)
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n/an/a 49n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341782
PNG
(4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carb...)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C30H30F3N3O5/c31-30(32,33)25-24(35-27(41-25)20-4-2-1-3-5-20)26(37)34-23-12-10-18(11-13-23)19-14-16-36(17-15-19)28(38)21-6-8-22(9-7-21)29(39)40/h1-5,10-13,19,21-22H,6-9,14-17H2,(H,34,37)(H,39,40)/t21-,22-
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n/an/a 57n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341769
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)C1CC1)-c1ccccc1
Show InChI InChI=1S/C24H22F3N5O3/c25-24(26,27)20-19(30-22(35-20)15-4-2-1-3-5-15)21(33)29-17-8-9-18(28-14-17)31-10-12-32(13-11-31)23(34)16-6-7-16/h1-5,8-9,14,16H,6-7,10-13H2,(H,29,33)
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n/an/a 59n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358323
PNG
(CHEMBL1922582)
Show SMILES CCCn1[nH]c(=O)c2cc(NC(=O)c3nc(oc3C(F)(F)F)-c3ccccc3)ccc12
Show InChI InChI=1S/C21H17F3N4O3/c1-2-10-28-15-9-8-13(11-14(15)18(29)27-28)25-19(30)16-17(21(22,23)24)31-20(26-16)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,25,30)(H,27,29)
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n/an/a 60n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341776
PNG
(CHEMBL1766805 | N-(4-(1-(cyclopropanecarbonyl)pipe...)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(cc1)C1CCN(CC1)C(=O)C1CC1)-c1ccccc1
Show InChI InChI=1S/C26H24F3N3O3/c27-26(28,29)22-21(31-24(35-22)18-4-2-1-3-5-18)23(33)30-20-10-8-16(9-11-20)17-12-14-32(15-13-17)25(34)19-6-7-19/h1-5,8-11,17,19H,6-7,12-15H2,(H,30,33)
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n/an/a 67n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341764
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES CCOC1CN(C1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C21H19F3N4O3/c1-2-30-15-11-28(12-15)16-9-8-14(10-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)13-6-4-3-5-7-13/h3-10,15H,2,11-12H2,1H3,(H,26,29)
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n/an/a 68n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341771
PNG
(4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbony...)
Show SMILES COC(=O)N1CCN(CC1)c1ncc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C21H19F3N6O4/c1-33-20(32)30-9-7-29(8-10-30)19-25-11-14(12-26-19)27-17(31)15-16(21(22,23)24)34-18(28-15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,27,31)
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n/an/a 71n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341781
PNG
(4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carb...)
Show SMILES OC(=O)[C@H]1CC[C@H](CC1)C(=O)N1CCN(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C29H29F3N4O5/c30-29(31,32)24-23(34-26(41-24)18-4-2-1-3-5-18)25(37)33-21-10-12-22(13-11-21)35-14-16-36(17-15-35)27(38)19-6-8-20(9-7-19)28(39)40/h1-5,10-13,19-20H,6-9,14-17H2,(H,33,37)(H,39,40)/t19-,20+
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n/an/a 77n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341783
PNG
(4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carb...)
Show SMILES OC(=O)[C@H]1CC[C@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C30H30F3N3O5/c31-30(32,33)25-24(35-27(41-25)20-4-2-1-3-5-20)26(37)34-23-12-10-18(11-13-23)19-14-16-36(17-15-19)28(38)21-6-8-22(9-7-21)29(39)40/h1-5,10-13,19,21-22H,6-9,14-17H2,(H,34,37)(H,39,40)/t21-,22+
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n/an/a 82n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341777
PNG
(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbony...)
Show SMILES COC(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C24H22F3N3O4/c1-33-23(32)30-13-11-16(12-14-30)15-7-9-18(10-8-15)28-21(31)19-20(24(25,26)27)34-22(29-19)17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3,(H,28,31)
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n/an/a 84n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341772
PNG
(5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)a...)
Show SMILES COC(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C23H21F3N4O4/c1-33-22(32)30-11-9-14(10-12-30)17-8-7-16(13-27-17)28-20(31)18-19(23(24,25)26)34-21(29-18)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,28,31)
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n/an/a 84n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358330
PNG
(CHEMBL1922679)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1cnc(s1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C18H15F3N4O3S/c19-18(20,21)14-13(24-16(28-14)11-4-2-1-3-5-11)15(26)23-12-10-22-17(29-12)25-6-8-27-9-7-25/h1-5,10H,6-9H2,(H,23,26)
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n/an/a 100n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM27947
PNG
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)
Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14-
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n/an/a 113n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM152804
PNG
((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...)
Show SMILES COc1ccc(cc1)C(=N/O)\C(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15NO5S/c1-22-13-7-3-11(4-8-13)15(17-19)16(18)12-5-9-14(10-6-12)23(2,20)21/h3-10,19H,1-2H3/b17-15+
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n/an/a 120n/an/an/an/an/an/a



Mazandaran University of Medical Sciences



Assay Description
Reaction mixtures were prepared in 100 mM TrisHCl buffer, pH 8.0 containing 1 M heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...


Chem Biol Drug Des 85: 494-503 (2015)


Article DOI: 10.1111/cbdd.12435
BindingDB Entry DOI: 10.7270/Q21C1VK2
More data for this
Ligand-Target Pair
Diacyl Glycerolacyltransferase 1 (DGAT-1)


(Rattus norvegicus (rat))
BDBM50341760
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28)
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n/an/a 120n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of rat DGAT1


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341773
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(nc1)C1CCN(CC1)C(=O)C1CC1)-c1ccccc1
Show InChI InChI=1S/C25H23F3N4O3/c26-25(27,28)21-20(31-23(35-21)16-4-2-1-3-5-16)22(33)30-18-8-9-19(29-14-18)15-10-12-32(13-11-15)24(34)17-6-7-17/h1-5,8-9,14-15,17H,6-7,10-13H2,(H,30,33)
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n/an/a 128n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341780
PNG
(4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbony...)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C29H29F3N4O5/c30-29(31,32)24-23(35-26(41-24)18-4-2-1-3-5-18)25(37)34-21-10-11-22(33-16-21)17-12-14-36(15-13-17)27(38)19-6-8-20(9-7-19)28(39)40/h1-5,10-11,16-17,19-20H,6-9,12-15H2,(H,34,37)(H,39,40)/t19-,20-
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n/an/a 128n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341775
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)C1CC1)-c1ccccc1
Show InChI InChI=1S/C25H23F3N4O3/c26-25(27,28)21-20(30-23(35-21)16-4-2-1-3-5-16)22(33)29-18-8-10-19(11-9-18)31-12-14-32(15-13-31)24(34)17-6-7-17/h1-5,8-11,17H,6-7,12-15H2,(H,29,33)
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n/an/a 136n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358333
PNG
(CHEMBL1922682)
Show SMILES FC(F)(F)c1oc(cc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)19-16(12-17(30-19)14-4-2-1-3-5-14)20(28)26-15-6-7-18(25-13-15)27-8-10-29-11-9-27/h1-7,12-13H,8-11H2,(H,26,28)
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n/an/a 140n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Glucosamine--fructose-6-phosphate aminotransferase [isomerizing] 1


(Homo sapiens)
BDBM50356010
PNG
(CHEMBL1911372)
Show SMILES N[C@@H](CNC(=O)CBr)C(O)=O
Show InChI InChI=1S/C5H9BrN2O3/c6-1-4(9)8-2-3(7)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of GFAT


Bioorg Med Chem Lett 21: 6264-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.009
BindingDB Entry DOI: 10.7270/Q21J9B6P
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358335
PNG
(CHEMBL1922684)
Show SMILES Cc1nc(oc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H20N4O3/c1-14-18(27-20(22-14)15-5-3-2-4-6-15)19(25)23-16-7-8-17(21-13-16)24-9-11-26-12-10-24/h2-8,13H,9-12H2,1H3,(H,23,25)
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n/an/a 150n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358328
PNG
(CHEMBL1922677)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(nc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)17-16(26-19(30-17)13-4-2-1-3-5-13)18(28)25-14-6-7-15(24-12-14)27-8-10-29-11-9-27/h1-7,12H,8-11H2,(H,25,28)
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n/an/a 160n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341774
PNG
(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbony...)
Show SMILES COC(=O)N1CCN(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C23H21F3N4O4/c1-33-22(32)30-13-11-29(12-14-30)17-9-7-16(8-10-17)27-20(31)18-19(23(24,25)26)34-21(28-18)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,27,31)
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n/an/a 165n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004250
PNG
(CHEMBL3237473)
Show SMILES CCOC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-n1nc-2c(N(C)S(=O)(=O)c3ccccc-23)c1-c1ccccc1
Show InChI InChI=1S/C32H25N5O4S/c1-3-41-32(38)22-15-18-25-26(19-22)34-31(33-25)21-13-16-23(17-14-21)37-29(20-9-5-4-6-10-20)30-28(35-37)24-11-7-8-12-27(24)42(39,40)36(30)2/h4-19H,3H2,1-2H3,(H,33,34)
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n/an/a 180n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50079818
PNG
(1-[(2,3-Dihydro-benzofuran-2-yl)-(4-fluoro-phenyl)...)
Show SMILES Fc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
Show InChI InChI=1S/C17H14FN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-8,10-11,16-17H,9H2
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n/an/a 190n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50079814
PNG
(1-[(4-Chloro-phenyl)-(2,3-dihydro-benzofuran-2-yl)...)
Show SMILES Clc1ccc(cc1)C(C1Cc2ccccc2O1)n1cncn1
Show InChI InChI=1S/C17H14ClN3O/c18-14-7-5-12(6-8-14)17(21-11-19-10-20-21)16-9-13-3-1-2-4-15(13)22-16/h1-8,10-11,16-17H,9H2
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n/an/a 200n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human placental aromatase, cytochrome P450 19A1


Bioorg Med Chem Lett 9: 2105-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00328-5
BindingDB Entry DOI: 10.7270/Q2SQ8ZK7
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341767
PNG
((1-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbon...)
Show SMILES OC(=O)COC1CN(C1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C21H17F3N4O5/c22-21(23,24)18-17(27-20(33-18)12-4-2-1-3-5-12)19(31)26-13-6-7-15(25-8-13)28-9-14(10-28)32-11-16(29)30/h1-8,14H,9-11H2,(H,26,31)(H,29,30)
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n/an/a 202n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341765
PNG
((S)-2-Phenyl-5-trifluoromethyloxazole-4-carboxylic...)
Show SMILES O[C@H]1CCN(C1)c1ncc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C19H16F3N5O3/c20-19(21,22)15-14(26-17(30-15)11-4-2-1-3-5-11)16(29)25-12-8-23-18(24-9-12)27-7-6-13(28)10-27/h1-5,8-9,13,28H,6-7,10H2,(H,25,29)/t13-/m0/s1
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n/an/a 237n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358337
PNG
(CHEMBL1922686)
Show SMILES CCN(CC)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
Show InChI InChI=1S/C20H19F3N4O2/c1-3-27(4-2)15-11-10-14(12-24-15)25-18(28)16-17(20(21,22)23)29-19(26-16)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,25,28)
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n/an/a 253n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004242
PNG
(CHEMBL3237457)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C26H23N5O2S/c1-15-13-21-22(14-16(15)2)28-26(27-21)18-9-11-19(12-10-18)31-17(3)25-24(29-31)20-7-5-6-8-23(20)34(32,33)30(25)4/h5-14H,1-4H3,(H,27,28)
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n/an/a 273n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341779
PNG
(4-(4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carb...)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCN(CC1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C29H29F3N4O5/c30-29(31,32)24-23(34-26(41-24)18-4-2-1-3-5-18)25(37)33-21-10-12-22(13-11-21)35-14-16-36(17-15-35)27(38)19-6-8-20(9-7-19)28(39)40/h1-5,10-13,19-20H,6-9,14-17H2,(H,33,37)(H,39,40)/t19-,20-
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n/an/a 277n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50341762
PNG
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)
Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C21H20F3N3O3/c1-27(12-13-29-2)16-10-8-15(9-11-16)25-19(28)17-18(21(22,23)24)30-20(26-17)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,25,28)
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n/an/a 325n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 expressed in baculovirus infected insect cells after 1 hr using palmitoyl-1-14C-coenzyme A by phospholipid flashplate assay


J Med Chem 54: 2433-46 (2011)


Article DOI: 10.1021/jm101580m
BindingDB Entry DOI: 10.7270/Q2S182TQ
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50358327
PNG
(CHEMBL1922676)
Show SMILES FC(F)(F)c1oc(nc1C(=O)Nc1ccc(cc1)N1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)18-17(26-20(30-18)14-4-2-1-3-5-14)19(28)25-15-6-8-16(9-7-15)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,25,28)
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n/an/a 330n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of human DGAT1 using palmitoyl-1-14C coenzyme A and DAG as substrate after 1 hr by phospholipid flash plate assay


Bioorg Med Chem Lett 21: 7205-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.039
BindingDB Entry DOI: 10.7270/Q2MP53P6
More data for this
Ligand-Target Pair
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