Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'barba' and Initial = 'o'   

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))	BDBM50362677 (CHEMBL1939618) Show SMILES Cn1c(OCC(C)(C)C(O)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C25H24N4O4/c1-25(2,23(31)32)15-33-24-28-27-21(29(24)3)17-10-12-20(13-11-17)26-22(30)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3,(H,26,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362678 (CHEMBL1939480) Show SMILES CCC(Sc1nnc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C20H18Cl2N4O3S/c1-3-16(19(28)29)30-20-25-24-17(26(20)2)11-4-7-13(8-5-11)23-18(27)12-6-9-14(21)15(22)10-12/h4-10,16H,3H2,1-2H3,(H,23,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362683 (CHEMBL1939476) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3cc4ccccc4s3)cc2)n1C)C(O)=O Show InChI InChI=1S/C21H18N4O3S2/c1-12(20(27)28)29-21-24-23-18(25(21)2)13-7-9-15(10-8-13)22-19(26)17-11-14-5-3-4-6-16(14)30-17/h3-12H,1-2H3,(H,22,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362685 (CHEMBL1939475) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C23H20N4O3S/c1-14(22(29)30)31-23-26-25-20(27(23)2)16-9-11-19(12-10-16)24-21(28)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3,(H,24,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362675 (CHEMBL1939620) Show SMILES Cn1c(OCC(C)(C)C(N)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C25H25N5O3/c1-25(2,23(26)32)15-33-24-29-28-21(30(24)3)17-10-12-20(13-11-17)27-22(31)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3,(H2,26,32)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362676 (CHEMBL1939621) Show SMILES CN(C)C(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C27H29N5O3/c1-27(2,25(34)31(3)4)17-35-26-30-29-23(32(26)5)19-12-14-22(15-13-19)28-24(33)21-11-10-18-8-6-7-9-20(18)16-21/h6-16H,17H2,1-5H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362667 (CHEMBL1939631) Show SMILES CC(C)(COc1ccc(cn1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C27H24N2O4/c1-27(2,26(31)32)17-33-24-14-11-22(16-28-24)19-9-12-23(13-10-19)29-25(30)21-8-7-18-5-3-4-6-20(18)15-21/h3-16H,17H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362680 (CHEMBL1939478) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C20H18Cl2N4O3S/c1-11(19(28)29)30-20-25-24-18(26(20)2)13-4-6-14(7-5-13)23-17(27)10-12-3-8-15(21)16(22)9-12/h3-9,11H,10H2,1-2H3,(H,23,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362672 (CHEMBL1939622) Show SMILES CC(C)NC(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C28H31N5O3/c1-18(2)29-26(35)28(3,4)17-36-27-32-31-24(33(27)5)20-12-14-23(15-13-20)30-25(34)22-11-10-19-8-6-7-9-21(19)16-22/h6-16,18H,17H2,1-5H3,(H,29,35)(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27579 (AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophe...) Show SMILES CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362667 (CHEMBL1939631) Show SMILES CC(C)(COc1ccc(cn1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C27H24N2O4/c1-27(2,26(31)32)17-33-24-14-11-22(16-28-24)19-9-12-23(13-10-19)29-25(30)21-8-7-18-5-3-4-6-20(18)15-21/h3-16H,17H2,1-2H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27576 (5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362673 (CHEMBL1939624) Show SMILES CN(C)CCNC(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C29H34N6O3/c1-29(2,27(37)30-16-17-34(3)4)19-38-28-33-32-25(35(28)5)21-12-14-24(15-13-21)31-26(36)23-11-10-20-8-6-7-9-22(20)18-23/h6-15,18H,16-17,19H2,1-5H3,(H,30,37)(H,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM27579 (AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophe...) Show SMILES CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27579 (AG 1549 | CPV | Capravirine | {5-[(3,5-dichlorophe...) Show SMILES CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H20Cl2N4O2S/c1-12(2)18-19(29-16-8-14(21)7-15(22)9-16)26(10-13-3-5-24-6-4-13)17(25-18)11-28-20(23)27/h3-9,12H,10-11H2,1-2H3,(H2,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27578 (5-{[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy...) Show SMILES Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O2/c1-10-16-15(3-2-13(9-22)17(16)21-20-10)23-14-5-11(7-18)4-12(6-14)8-19/h2-6,22H,9H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362666 (CHEMBL1939628) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C28H26N2O4/c1-18-14-23(30-26(31)21-9-8-19-6-4-5-7-20(19)15-21)11-12-24(18)22-10-13-25(29-16-22)34-17-28(2,3)27(32)33/h4-16H,17H2,1-3H3,(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362665 (CHEMBL1939632) Show SMILES CC(C)(COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C28H25NO4/c1-28(2,27(31)32)18-33-25-15-11-21(12-16-25)20-9-13-24(14-10-20)29-26(30)23-8-7-19-5-3-4-6-22(19)17-23/h3-17H,18H2,1-2H3,(H,29,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362665 (CHEMBL1939632) Show SMILES CC(C)(COc1ccc(cc1)-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(O)=O Show InChI InChI=1S/C28H25NO4/c1-28(2,27(31)32)18-33-25-15-11-21(12-16-25)20-9-13-24(14-10-20)29-26(30)23-8-7-19-5-3-4-6-22(19)17-23/h3-17H,18H2,1-2H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362671 (CHEMBL1939623) Show SMILES Cn1c(OCC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C31H29N5O3/c1-31(2,29(38)33-25-11-5-4-6-12-25)20-39-30-35-34-27(36(30)3)22-15-17-26(18-16-22)32-28(37)24-14-13-21-9-7-8-10-23(21)19-24/h4-19H,20H2,1-3H3,(H,32,37)(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27572 (5-[(3-ethyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarb...) Show SMILES CCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O/c1-2-14-17-15(21-20-14)4-3-5-16(17)22-13-7-11(9-18)6-12(8-13)10-19/h3-8H,2H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362669 (CHEMBL1939625) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1cnc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H25N3O4/c1-17-12-22(30-24(31)20-9-8-18-6-4-5-7-19(18)13-20)10-11-23(17)21-14-28-26(29-15-21)34-16-27(2,3)25(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362670 (CHEMBL1939627) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1cnc(OCC(C)(C)C(O)=O)cn1 Show InChI InChI=1S/C27H25N3O4/c1-17-12-21(30-25(31)20-9-8-18-6-4-5-7-19(18)13-20)10-11-22(17)23-14-29-24(15-28-23)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362666 (CHEMBL1939628) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C28H26N2O4/c1-18-14-23(30-26(31)21-9-8-19-6-4-5-7-20(19)15-21)11-12-24(18)22-10-13-25(29-16-22)34-17-28(2,3)27(32)33/h4-16H,17H2,1-3H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362687 (CHEMBL1939474) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1C)C(O)=O Show InChI InChI=1S/C20H20N4O3S/c1-12-4-6-15(7-5-12)18(25)21-16-10-8-14(9-11-16)17-22-23-20(24(17)3)28-13(2)19(26)27/h4-11,13H,1-3H3,(H,21,25)(H,26,27)	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
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362679 (CHEMBL1939617) Show SMILES CC(Oc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C23H20N4O4/c1-14(22(29)30)31-23-26-25-20(27(23)2)16-9-11-19(12-10-16)24-21(28)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,1-2H3,(H,24,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM27576 (5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362674 (CHEMBL1939619) Show SMILES Cn1c(CCC(O)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C23H20N4O3/c1-27-20(12-13-21(28)29)25-26-22(27)16-8-10-19(11-9-16)24-23(30)18-7-6-15-4-2-3-5-17(15)14-18/h2-11,14H,12-13H2,1H3,(H,24,30)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27577 (5-[(3-ethyl-5-fluoro-1H-indazol-4-yl)oxy]benzene-1...) Show SMILES CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H11FN4O/c1-2-14-16-15(22-21-14)4-3-13(18)17(16)23-12-6-10(8-19)5-11(7-12)9-20/h3-7H,2H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362671 (CHEMBL1939623) Show SMILES Cn1c(OCC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C31H29N5O3/c1-31(2,29(38)33-25-11-5-4-6-12-25)20-39-30-35-34-27(36(30)3)22-15-17-26(18-16-22)32-28(37)24-14-13-21-9-7-8-10-23(21)19-24/h4-19H,20H2,1-3H3,(H,32,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362684 (CHEMBL1939477) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1C)C(O)=O Show InChI InChI=1S/C19H16Cl2N4O3S/c1-10(18(27)28)29-19-24-23-16(25(19)2)11-3-6-13(7-4-11)22-17(26)12-5-8-14(20)15(21)9-12/h3-10H,1-2H3,(H,22,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27571 (5-[(3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicar...) Show SMILES Cc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H10N4O/c1-10-16-14(20-19-10)3-2-4-15(16)21-13-6-11(8-17)5-12(7-13)9-18/h2-7H,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	332	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362682 (CHEMBL1939473) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2)n1C)C(O)=O Show InChI InChI=1S/C19H18N4O3S/c1-12(18(25)26)27-19-22-21-16(23(19)2)13-8-10-15(11-9-13)20-17(24)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,20,24)(H,25,26)	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
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362668 (CHEMBL1939626) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)nn1 Show InChI InChI=1S/C27H25N3O4/c1-17-14-21(28-25(31)20-9-8-18-6-4-5-7-19(18)15-20)10-11-22(17)23-12-13-24(30-29-23)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,28,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	373	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27576 (5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27575 (5-[(5-chloro-3-methyl-1H-indazol-4-yl)oxy]benzene-...) Show SMILES Cc1n[nH]c2ccc(Cl)c(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C16H9ClN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	399	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362669 (CHEMBL1939625) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1cnc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H25N3O4/c1-17-12-22(30-24(31)20-9-8-18-6-4-5-7-19(18)13-20)10-11-23(17)21-14-28-26(29-15-21)34-16-27(2,3)25(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	433	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362676 (CHEMBL1939621) Show SMILES CN(C)C(=O)C(C)(C)COc1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1C Show InChI InChI=1S/C27H29N5O3/c1-27(2,25(34)31(3)4)17-35-26-30-29-23(32(26)5)19-12-14-22(15-13-19)28-24(33)21-11-10-18-8-6-7-9-20(18)16-21/h6-16H,17H2,1-5H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362688 (CHEMBL1939630) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)cc1 Show InChI InChI=1S/C29H27NO4/c1-19-16-24(30-27(31)23-9-8-20-6-4-5-7-22(20)17-23)12-15-26(19)21-10-13-25(14-11-21)34-18-29(2,3)28(32)33/h4-17H,18H2,1-3H3,(H,30,31)(H,32,33)	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
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362668 (CHEMBL1939626) Show SMILES Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(OCC(C)(C)C(O)=O)nn1 Show InChI InChI=1S/C27H25N3O4/c1-17-14-21(28-25(31)20-9-8-18-6-4-5-7-19(18)15-20)10-11-22(17)23-12-13-24(30-29-23)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,28,31)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	709	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362686 (CHEMBL1939479) Show SMILES Cn1c(SC(C(O)=O)c2ccccc2)nnc1-c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C24H18Cl2N4O3S/c1-30-21(28-29-24(30)34-20(23(32)33)14-5-3-2-4-6-14)15-7-10-17(11-8-15)27-22(31)16-9-12-18(25)19(26)13-16/h2-13,20H,1H3,(H,27,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027,K691N]/[588-1147,K690N] (Human immunodeficiency virus type 1)	BDBM27578 (5-{[7-(hydroxymethyl)-3-methyl-1H-indazol-4-yl]oxy...) Show SMILES Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O2/c1-10-16-15(3-2-13(9-22)17(16)21-20-10)23-14-5-11(7-18)4-12(6-14)8-19/h2-6,22H,9H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027] (Human immunodeficiency virus type 1 group M subtyp...)	BDBM27574 (5-{[3-(methoxymethyl)-1H-indazol-4-yl]oxy}benzene-...) Show SMILES COCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12 Show InChI InChI=1S/C17H12N4O2/c1-22-10-15-17-14(20-21-15)3-2-4-16(17)23-13-6-11(8-18)5-12(7-13)9-19/h2-7H,10H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	7.8	37
Pfizer					Assay Description The inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme was measured using a primer extension assay. Th...				J Med Chem 52: 1219-23 (2009) Article DOI: 10.1021/jm801322h BindingDB Entry DOI: 10.7270/Q2707ZRW
					More data for this Ligand-Target Pair				3D Structure (docked)
Diacylglycerol O-acyltransferase 1 (Mus musculus (mouse))	BDBM50362677 (CHEMBL1939618) Show SMILES Cn1c(OCC(C)(C)C(O)=O)nnc1-c1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C25H24N4O4/c1-25(2,23(31)32)15-33-24-28-27-21(29(24)3)17-10-12-20(13-11-17)26-22(30)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3,(H,26,30)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of DGAT1-mediated triglyceride synthesis n mouse 3T3L1 cells				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50362681 (CHEMBL1305904) Show SMILES CC(Sc1nnc(-c2ccc(NC(=O)c3ccccc3C)cc2)n1C)C(O)=O Show InChI InChI=1S/C20H20N4O3S/c1-12-6-4-5-7-16(12)18(25)21-15-10-8-14(9-11-15)17-22-23-20(24(17)3)28-13(2)19(26)27/h4-11,13H,1-3H3,(H,21,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Prosidion Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminus FLAG-tagged DGAT1 expressed in baculovirus infected insect Sf9 cells assessed as triglyceride synthesis				Bioorg Med Chem Lett 22: 824-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.050 BindingDB Entry DOI: 10.7270/Q2R211V4
					More data for this Ligand-Target Pair

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