Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'huang' and Initial = 'ks'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50341785 ((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 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341766 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341768 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341778 (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 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;8.6,-29.06,;7.25,-28.31,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;5.96,-30.65,;7.3,-31.4,)| 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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341760 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341760 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341770 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341784 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341763 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341782 (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 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341769 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/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
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498901 (CHEMBL3735517) Show SMILES CC(C)(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1 Show InChI InChI=1S/C16H19NO2/c1-16(2,3)14-8-13-12(9-19-14)10-6-4-5-7-11(10)15(18)17-13/h4-7,14H,8-9H2,1-3H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498904 (CHEMBL3734991) Show SMILES CC(C)C1Cc2[nH]c(=O)c3cccc(C)c3c2CO1 Show InChI InChI=1S/C16H19NO2/c1-9(2)14-7-13-12(8-19-14)15-10(3)5-4-6-11(15)16(18)17-13/h4-6,9,14H,7-8H2,1-3H3,(H,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498903 (CHEMBL3735964) Show SMILES O=C(C1COC1)N1CCC(CC1)C1Cc2[nH]c(=O)c3ccccc3c2CO1 Show InChI InChI=1S/C21H24N2O4/c24-20-16-4-2-1-3-15(16)17-12-27-19(9-18(17)22-20)13-5-7-23(8-6-13)21(25)14-10-26-11-14/h1-4,13-14,19H,5-12H2,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498905 (CHEMBL3736012) Show SMILES Cc1cccc2c1c1COC(Cc1[nH]c2=O)C(C)(C)CO Show InChI InChI=1S/C17H21NO3/c1-10-5-4-6-11-15(10)12-8-21-14(17(2,3)9-19)7-13(12)18-16(11)20/h4-6,14,19H,7-9H2,1-3H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498898 (CHEMBL3736494) Show SMILES CC(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1 Show InChI InChI=1S/C15H17NO2/c1-9(2)14-7-13-12(8-18-14)10-5-3-4-6-11(10)15(17)16-13/h3-6,9,14H,7-8H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498900 (CHEMBL3736145) Show SMILES CS(=O)(=O)N1CCC(C1)C1Cc2[nH]c(=O)c3ccccc3c2CO1 Show InChI InChI=1S/C17H20N2O4S/c1-24(21,22)19-7-6-11(9-19)16-8-15-14(10-23-16)12-4-2-3-5-13(12)17(20)18-15/h2-5,11,16H,6-10H2,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498897 (CHEMBL3734971) Show SMILES CC(C)(CO)C1Cc2[nH]c(=O)c3ccccc3c2CO1 Show InChI InChI=1S/C16H19NO3/c1-16(2,9-18)14-7-13-12(8-20-14)10-5-3-4-6-11(10)15(19)17-13/h3-6,14,18H,7-9H2,1-2H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<60	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50341776 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341764 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341771 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341781 (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 |r,wU:6.9,3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;17.96,-32.77,;16.65,-33.55,;15.31,-32.8,;15.28,-31.27,;16.6,-30.48,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341783 (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 |r,wU:6.9,3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;17.96,-32.77,;16.65,-33.55,;15.31,-32.8,;15.28,-31.27,;16.6,-30.48,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341777 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341772 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/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
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498899 (CHEMBL3736005) Show SMILES CC(C)C1Cc2[nH]c(=O)c3cccnc3c2CO1 Show InChI InChI=1S/C14H16N2O2/c1-8(2)12-6-11-10(7-18-12)13-9(14(17)16-11)4-3-5-15-13/h3-5,8,12H,6-7H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM27947 (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 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)| 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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/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				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50341780 (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 |r,wU:6.9,wD:3.2,(20.62,-31.22,;19.28,-30.47,;19.26,-28.93,;17.96,-31.25,;16.61,-30.5,;15.28,-31.29,;15.32,-32.82,;16.65,-33.57,;17.97,-32.79,;14,-33.61,;14.02,-35.14,;12.65,-32.86,;11.33,-33.65,;9.99,-32.9,;9.97,-31.36,;11.28,-30.56,;12.63,-31.32,;8.63,-30.62,;8.6,-29.08,;7.25,-28.33,;5.93,-29.12,;4.58,-28.38,;3.27,-29.18,;3.32,-30.72,;1.91,-28.45,;.69,-29.41,;-.59,-28.55,;-.17,-27.06,;1.38,-27,;2.14,-25.66,;3.68,-25.66,;1.37,-24.34,;2.77,-24.26,;-1.94,-29.29,;-3.26,-28.48,;-4.61,-29.23,;-4.65,-30.76,;-3.33,-31.57,;-1.98,-30.83,;5.96,-30.66,;7.31,-31.41,)| 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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341773 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341775 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/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
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50321122 (2-Ethylquinazolin-4(3H)-one | CHEMBL1163173) Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50341774 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/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
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50321122 (2-Ethylquinazolin-4(3H)-one | CHEMBL1163173) Show SMILES Clc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50341767 ((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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341765 ((S)-2-Phenyl-5-trifluoromethyloxazole-4-carboxylic...) Show SMILES O[C@H]1CCN(C1)c1ncc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1 |r| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341779 (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 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50341762 (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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	325	n/a	n/a	n/a	n/a	n/a	n/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
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50498902 (CHEMBL1527375) Show SMILES CC(C)C1Cc2nc(O)c(cc2CO1)C#N Show InChI InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS1 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50498902 (CHEMBL1527375) Show SMILES CC(C)C1Cc2nc(O)c(cc2CO1)C#N Show InChI InChI=1S/C12H14N2O2/c1-7(2)11-4-10-9(6-16-11)3-8(5-13)12(15)14-10/h3,7,11H,4,6H2,1-2H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin) by fluorescence analysis				ACS Med Chem Lett 6: 1019-24 (2015) Article DOI: 10.1021/acsmedchemlett.5b00251 BindingDB Entry DOI: 10.7270/Q25B05GZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50341759 (2-Methyl-5-trifluoromethyloxazole-4-carboxylic Aci...) Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(C)oc2C(F)(F)F)cn1 Show InChI InChI=1S/C15H17F3N4O3/c1-9-20-12(13(25-9)15(16,17)18)14(23)21-10-4-5-11(19-8-10)22(2)6-7-24-3/h4-5,8H,6-7H2,1-3H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a	n/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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50341761 (2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...) Show SMILES COCCN(C)c1ccc(cn1)N(C)C(=O)c1nc(oc1C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C21H21F3N4O3/c1-27(11-12-30-3)16-10-9-15(13-25-16)28(2)20(29)17-18(21(22,23)24)31-19(26-17)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50341782 (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 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50341782 (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 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50341782 (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 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A5 (unknown origin)				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50341782 (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 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50012905 (CHEMBL3261331 | US20240059676, Compound MGL-3196 |...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)-n2nc(C#N)c(=O)[nH]c2=O)n[nH]c1=O Show InChI InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Madrigal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 57: 3912-23 (2014) Article DOI: 10.1021/jm4019299 BindingDB Entry DOI: 10.7270/Q23T9JRQ
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50341782 (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 |r,wU:6.9,wD:3.2,(20.61,-31.2,;19.27,-30.45,;19.25,-28.91,;17.95,-31.23,;16.6,-30.48,;15.28,-31.27,;15.31,-32.8,;16.65,-33.55,;17.96,-32.77,;13.99,-33.59,;14.01,-35.12,;12.65,-32.84,;11.32,-33.63,;9.99,-32.88,;9.97,-31.35,;11.27,-30.55,;12.62,-31.3,;8.62,-30.6,;7.3,-31.4,;5.96,-30.65,;5.92,-29.1,;4.57,-28.36,;3.27,-29.17,;3.32,-30.7,;1.9,-28.44,;.69,-29.39,;-.59,-28.53,;-.17,-27.05,;1.38,-26.98,;2.14,-25.65,;3.68,-25.64,;1.37,-24.32,;2.76,-24.25,;-1.94,-29.27,;-3.26,-28.47,;-4.61,-29.21,;-4.65,-30.75,;-3.32,-31.55,;-1.97,-30.81,;7.25,-28.31,;8.6,-29.06,)| 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-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human ACAT1 expressed in human HepG2 cells after incubated with compound for 15 mins measured after 1 hr using palmitoyl-1-14C-coenzyme...				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

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