Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'wang' and Initial = 'sj'   

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))	BDBM50385398 (CHEMBL2036730) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triacylglycerol synthesis in human HuTu80 cells				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Rattus norvegicus (rat))	BDBM50385398 (CHEMBL2036730) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of rat DGAT1				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385398 (CHEMBL2036730) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50385398 (CHEMBL2036730) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of mouse DGAT1				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385439 (CHEMBL2036745) Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 |r,wU:7.10,wD:4.3,(45.29,-27.64,;44.52,-28.98,;42.98,-28.97,;45.28,-30.31,;46.82,-30.32,;47.6,-31.66,;49.13,-31.66,;49.9,-30.34,;49.14,-29,;47.6,-28.99,;51.43,-30.34,;52.21,-29.01,;53.75,-29.02,;54.51,-30.36,;56.05,-30.37,;56.83,-29.04,;56.07,-27.71,;58.38,-29.05,;58.85,-27.59,;60.38,-27.59,;60.86,-29.05,;62.19,-29.81,;63.52,-29.04,;63.51,-27.5,;64.83,-26.72,;66.18,-27.49,;66.19,-29.03,;64.86,-29.81,;64.86,-31.35,;59.62,-29.96,;53.74,-31.69,;52.2,-31.69,)| Show InChI InChI=1S/C23H23FN4O4/c24-18-3-1-2-4-19(18)26-23-28-27-22(32-23)21(31)25-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-20(29)30/h1-4,9-12,14-15H,5-8,13H2,(H,25,31)(H,26,28)(H,29,30)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385429 (CHEMBL2036734) Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(c2)-c2ccccc2)o1 Show InChI InChI=1S/C24H22N6O3/c31-22(26-20-9-10-21(25-16-20)30-11-13-32-14-12-30)23-28-29-24(33-23)27-19-8-4-7-18(15-19)17-5-2-1-3-6-17/h1-10,15-16H,11-14H2,(H,26,31)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385424 (CHEMBL2036596) Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(Oc3ccccc3)c2)o1 Show InChI InChI=1S/C24H22N6O4/c31-22(26-18-9-10-21(25-16-18)30-11-13-32-14-12-30)23-28-29-24(34-23)27-17-5-4-8-20(15-17)33-19-6-2-1-3-7-19/h1-10,15-16H,11-14H2,(H,26,31)(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385412 (CHEMBL2036583) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Oc2ccccc2)nc1 Show InChI InChI=1S/C20H14FN5O3/c21-15-8-4-5-9-16(15)24-20-26-25-19(29-20)18(27)23-13-10-11-17(22-12-13)28-14-6-2-1-3-7-14/h1-12H,(H,23,27)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Rattus norvegicus (rat))	BDBM27950 (2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2 |c:12| Show InChI InChI=1S/C24H28N4O3/c1-22(2)19(28-18-20(25)26-14-27-21(18)31-22)15-3-5-16(6-4-15)24-10-7-23(8-11-24,9-12-24)13-17(29)30/h3-6,14H,7-13H2,1-2H3,(H,29,30)(H2,25,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385425 (CHEMBL2036597) Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(OCc3ccccc3)c2)o1 Show InChI InChI=1S/C25H24N6O4/c32-23(27-20-9-10-22(26-16-20)31-11-13-33-14-12-31)24-29-30-25(35-24)28-19-7-4-8-21(15-19)34-17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,27,32)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM27950 (2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2 |c:12| Show InChI InChI=1S/C24H28N4O3/c1-22(2)19(28-18-20(25)26-14-27-21(18)31-22)15-3-5-16(6-4-15)24-10-7-23(8-11-24,9-12-24)13-17(29)30/h3-6,14H,7-13H2,1-2H3,(H,29,30)(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					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	15	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385415 (CHEMBL2036586) Show SMILES CCCCSc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C19H19FN4O2S/c1-2-3-12-27-14-10-8-13(9-11-14)21-17(25)18-23-24-19(26-18)22-16-7-5-4-6-15(16)20/h4-11H,2-3,12H2,1H3,(H,21,25)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Rattus norvegicus (rat))	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-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385403 (CHEMBL2036574) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(nc1)N1CCSCC1 Show InChI InChI=1S/C18H17FN6O2S/c19-13-3-1-2-4-14(13)22-18-24-23-17(27-18)16(26)21-12-5-6-15(20-11-12)25-7-9-28-10-8-25/h1-6,11H,7-10H2,(H,21,26)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM27949 (4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]...) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC1)(CC2)C(O)=O |c:12| Show InChI InChI=1S/C23H26N4O3/c1-21(2)17(27-16-18(24)25-13-26-19(16)30-21)14-3-5-15(6-4-14)22-7-10-23(11-8-22,12-9-22)20(28)29/h3-6,13H,7-12H2,1-2H3,(H,28,29)(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM27951 (2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...) Show SMILES CC(C(O)=O)C12CCC(CC1)(CC2)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |t:22| Show InChI InChI=1S/C25H30N4O3/c1-15(22(30)31)24-8-11-25(12-9-24,13-10-24)17-6-4-16(5-7-17)19-23(2,3)32-21-18(29-19)20(26)27-14-28-21/h4-7,14-15H,8-13H2,1-3H3,(H,30,31)(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385423 (CHEMBL2036595) Show SMILES CCOc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C20H22N6O4/c1-2-29-16-5-3-4-14(12-16)23-20-25-24-19(30-20)18(27)22-15-6-7-17(21-13-15)26-8-10-28-11-9-26/h3-7,12-13H,2,8-11H2,1H3,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385440 (CHEMBL2036729) Show SMILES OC(=O)C1CCC(CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 |(-8.73,-41.91,;-7.96,-43.25,;-8.74,-44.58,;-6.42,-43.26,;-5.64,-41.92,;-4.1,-41.93,;-3.34,-43.27,;-4.11,-44.6,;-5.65,-44.6,;-1.81,-43.28,;-1.03,-41.95,;.51,-41.96,;1.27,-43.3,;2.81,-43.31,;3.59,-41.98,;2.83,-40.64,;5.14,-41.99,;5.61,-40.53,;7.14,-40.52,;7.62,-41.98,;8.95,-42.75,;10.28,-41.97,;10.27,-40.44,;11.59,-39.66,;12.94,-40.42,;12.95,-41.96,;11.62,-42.74,;11.62,-44.28,;6.38,-42.89,;.5,-44.63,;-1.04,-44.62,)| Show InChI InChI=1S/C22H21FN4O4/c23-17-3-1-2-4-18(17)25-22-27-26-20(31-22)19(28)24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)21(29)30/h1-4,9-13,15H,5-8H2,(H,24,28)(H,25,27)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385411 (CHEMBL2036582) Show SMILES CCCCOc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cn1 Show InChI InChI=1S/C18H18FN5O3/c1-2-3-10-26-15-9-8-12(11-20-15)21-16(25)17-23-24-18(27-17)22-14-7-5-4-6-13(14)19/h4-9,11H,2-3,10H2,1H3,(H,21,25)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385414 (CHEMBL2036585) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Nc2ccccc2)nc1 Show InChI InChI=1S/C20H15FN6O2/c21-15-8-4-5-9-16(15)25-20-27-26-19(29-20)18(28)24-14-10-11-17(22-12-14)23-13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,28)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM27952 (2-[5-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CCC2 |c:12,(7.57,-6.87,;8.39,-5.6,;6.94,-5.51,;7.75,-4.15,;8.66,-2.98,;7.93,-1.62,;8.84,-.35,;10.38,-.44,;11.01,-1.8,;12.55,-1.98,;10.11,-3.07,;10.83,-4.42,;9.93,-5.69,;10.56,-7.05,;12.1,-7.23,;12.83,-8.59,;11.92,-9.86,;10.38,-9.77,;9.75,-8.32,;12.64,-11.22,;13.82,-12.03,;14.09,-13.39,;13.37,-14.66,;13.37,-16.2,;14.73,-16.93,;16,-16.2,;14.73,-18.47,;12.01,-13.94,;11.65,-12.49,;14.82,-13.94,;15.18,-12.4,;14.18,-11.22,)| Show InChI InChI=1S/C25H30N4O3/c1-23(2)20(29-19-21(26)27-15-28-22(19)32-23)16-4-6-17(7-5-16)25-9-3-8-24(10-12-25,11-13-25)14-18(30)31/h4-7,15H,3,8-14H2,1-2H3,(H,30,31)(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385444 (CHEMBL2036742) Show SMILES OC(=O)Cc1cccc(c1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-18-6-1-2-7-19(18)26-23-28-27-22(32-23)21(31)25-17-10-8-15(9-11-17)16-5-3-4-14(12-16)13-20(29)30/h1-12H,13H2,(H,25,31)(H,26,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385437 (CHEMBL2036743) Show SMILES OC(=O)Cc1ccc(cc1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C23H17FN4O4/c24-18-3-1-2-4-19(18)26-23-28-27-22(32-23)21(31)25-17-11-9-16(10-12-17)15-7-5-14(6-8-15)13-20(29)30/h1-12H,13H2,(H,25,31)(H,26,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385420 (CHEMBL2036592) Show SMILES Clc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C18H17ClN6O3/c19-12-2-1-3-13(10-12)22-18-24-23-17(28-18)16(26)21-14-4-5-15(20-11-14)25-6-8-27-9-7-25/h1-5,10-11H,6-9H2,(H,21,26)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385409 (CHEMBL2036580) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H15FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,23,27)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM27953 (2-[3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(CC(O)=O)(C3)C1)C2 |c:12,TLB:30:21:32:31.25.24,30:25:32:20.21.22,26:25:20:32.22.23,THB:24:25:20:32.22.23,24:23:20:31.30.25| Show InChI InChI=1S/C26H30N4O3/c1-24(2)21(30-20-22(27)28-14-29-23(20)33-24)17-3-5-18(6-4-17)26-10-15-7-16(11-26)9-25(8-15,13-26)12-19(31)32/h3-6,14-16H,7-13H2,1-2H3,(H,31,32)(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385400 (CHEMBL2036571) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(nc1)N1CCOCC1 Show InChI InChI=1S/C18H17FN6O3/c19-13-3-1-2-4-14(13)22-18-24-23-17(28-18)16(26)21-12-5-6-15(20-11-12)25-7-9-27-10-8-25/h1-6,11H,7-10H2,(H,21,26)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385417 (CHEMBL2036588) Show SMILES Fc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C18H17FN6O3/c19-12-2-1-3-13(10-12)22-18-24-23-17(28-18)16(26)21-14-4-5-15(20-11-14)25-6-8-27-9-7-25/h1-5,10-11H,6-9H2,(H,21,26)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385428 (CHEMBL2036733) Show SMILES Cc1cccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C19H20N6O3/c1-13-3-2-4-14(11-13)22-19-24-23-18(28-19)17(26)21-15-5-6-16(20-12-15)25-7-9-27-10-8-25/h2-6,11-12H,7-10H2,1H3,(H,21,26)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385434 (CHEMBL2036739) Show SMILES Clc1ccc(cc1)C1(CCCC1)C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C25H26ClN5O4/c26-18-5-3-17(4-6-18)25(11-1-2-12-25)23(33)28-24-30-29-22(35-24)21(32)27-19-7-9-20(10-8-19)31-13-15-34-16-14-31/h3-10H,1-2,11-16H2,(H,27,32)(H,28,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385402 (CHEMBL2036573) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C20H20FN5O2/c21-16-6-2-3-7-17(16)23-20-25-24-19(28-20)18(27)22-14-8-10-15(11-9-14)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385421 (CHEMBL2036593) Show SMILES Clc1ccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)cc1 Show InChI InChI=1S/C18H17ClN6O3/c19-12-1-3-13(4-2-12)22-18-24-23-17(28-18)16(26)21-14-5-6-15(20-11-14)25-7-9-27-10-8-25/h1-6,11H,7-10H2,(H,21,26)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385436 (CHEMBL2036741) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C22H15FN4O4/c23-17-3-1-2-4-18(17)25-22-27-26-20(31-22)19(28)24-16-11-9-14(10-12-16)13-5-7-15(8-6-13)21(29)30/h1-12H,(H,24,28)(H,25,27)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM27954 (3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]...) Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(C3)(C1)C(O)=O)C2 |c:12,TLB:26:21:31:27.25.24,26:25:31:20.21.22,28:25:20:31.22.23,THB:24:25:20:31.22.23,24:23:20:27.26.25| Show InChI InChI=1S/C25H28N4O3/c1-23(2)19(29-18-20(26)27-13-28-21(18)32-23)16-3-5-17(6-4-16)24-8-14-7-15(9-24)11-25(10-14,12-24)22(30)31/h3-6,13-15H,7-12H2,1-2H3,(H,30,31)(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.4	22
AstraZeneca					Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ...				J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385445 (CHEMBL2036746) Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)c1nnc(Nc2ccccc2)o1 Show InChI InChI=1S/C19H19N5O3/c25-17(18-22-23-19(27-18)21-14-4-2-1-3-5-14)20-15-6-8-16(9-7-15)24-10-12-26-13-11-24/h1-9H,10-13H2,(H,20,25)(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385408 (CHEMBL2036579) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C21H21FN4O2/c22-17-8-4-5-9-18(17)24-21-26-25-20(28-21)19(27)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H,23,27)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385433 (CHEMBL2036738) Show SMILES Clc1ccc(cc1)C1(CCC1)C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C24H24ClN5O4/c25-17-4-2-16(3-5-17)24(10-1-11-24)22(32)27-23-29-28-21(34-23)20(31)26-18-6-8-19(9-7-18)30-12-14-33-15-13-30/h2-9H,1,10-15H2,(H,26,31)(H,27,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385418 (CHEMBL2036590) Show SMILES Fc1ccc(Nc2nnc(o2)C(=O)Nc2ccc(nc2)N2CCOCC2)cc1F Show InChI InChI=1S/C18H16F2N6O3/c19-13-3-1-11(9-14(13)20)23-18-25-24-17(29-18)16(27)22-12-2-4-15(21-10-12)26-5-7-28-8-6-26/h1-4,9-10H,5-8H2,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385399 (CHEMBL2036569) Show SMILES Cc1cc(NC(=O)c2nnc(Nc3ccccc3F)o2)ccc1N1CCOCC1 Show InChI InChI=1S/C20H20FN5O3/c1-13-12-14(6-7-17(13)26-8-10-28-11-9-26)22-18(27)19-24-25-20(29-19)23-16-5-3-2-4-15(16)21/h2-7,12H,8-11H2,1H3,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385431 (CHEMBL2036736) Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C20H18ClN5O4/c21-14-3-1-13(2-4-14)17(27)23-20-25-24-19(30-20)18(28)22-15-5-7-16(8-6-15)26-9-11-29-12-10-26/h1-8H,9-12H2,(H,22,28)(H,23,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385413 (CHEMBL2036584) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(Oc2cccnc2)nc1 Show InChI InChI=1S/C19H13FN6O3/c20-14-5-1-2-6-15(14)24-19-26-25-18(29-19)17(27)23-12-7-8-16(22-10-12)28-13-4-3-9-21-11-13/h1-11H,(H,23,27)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385405 (CHEMBL2036576) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cn1 Show InChI InChI=1S/C19H20FN7O2/c1-26-8-10-27(11-9-26)16-7-6-13(12-21-16)22-17(28)18-24-25-19(29-18)23-15-5-3-2-4-14(15)20/h2-7,12H,8-11H2,1H3,(H,22,28)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385447 (CHEMBL2036568) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 Show InChI InChI=1S/C19H17F2N5O3/c20-13-3-1-2-4-15(13)23-19-25-24-18(29-19)17(27)22-12-5-6-16(14(21)11-12)26-7-9-28-10-8-26/h1-6,11H,7-10H2,(H,22,27)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385441 (CHEMBL2036567) Show SMILES Fc1ccccc1Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C19H18FN5O3/c20-15-3-1-2-4-16(15)22-19-24-23-18(28-19)17(26)21-13-5-7-14(8-6-13)25-9-11-27-12-10-25/h1-8H,9-12H2,(H,21,26)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385432 (CHEMBL2036737) Show SMILES CC(C)(C(=O)Nc1nnc(o1)C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H24ClN5O4/c1-23(2,15-3-5-16(24)6-4-15)21(31)26-22-28-27-20(33-22)19(30)25-17-7-9-18(10-8-17)29-11-13-32-14-12-29/h3-10H,11-14H2,1-2H3,(H,25,30)(H,26,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385426 (CHEMBL2036731) Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2cccc(OCc3ccccn3)c2)o1 Show InChI InChI=1S/C24H23N7O4/c32-22(27-18-7-8-21(26-15-18)31-10-12-33-13-11-31)23-29-30-24(35-23)28-17-5-3-6-20(14-17)34-16-19-4-1-2-9-25-19/h1-9,14-15H,10-13,16H2,(H,27,32)(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385406 (CHEMBL2036577) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C21H21FN6O3/c1-14(29)27-10-12-28(13-11-27)16-8-6-15(7-9-16)23-19(30)20-25-26-21(31-20)24-18-5-3-2-4-17(18)22/h2-9H,10-13H2,1H3,(H,23,30)(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385407 (CHEMBL2036578) Show SMILES CCCCc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 Show InChI InChI=1S/C19H19FN4O2/c1-2-3-6-13-9-11-14(12-10-13)21-17(25)18-23-24-19(26-18)22-16-8-5-4-7-15(16)20/h4-5,7-12H,2-3,6H2,1H3,(H,21,25)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50385416 (CHEMBL2036587) Show SMILES O=C(Nc1ccc(nc1)N1CCOCC1)c1nnc(Nc2ccccc2)o1 Show InChI InChI=1S/C18H18N6O3/c25-16(17-22-23-18(27-17)21-13-4-2-1-3-5-13)20-14-6-7-15(19-12-14)24-8-10-26-11-9-24/h1-7,12H,8-11H2,(H,20,25)(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant DGAT1 expressed in baculovirus infected insect sf9 cells using [14C] oleoyl coenzyme A after 30 mins by scintillation...				Bioorg Med Chem Lett 22: 3873-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.117 BindingDB Entry DOI: 10.7270/Q2T72JG4
					More data for this Ligand-Target Pair

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