Compile Data Set for Download or QSAR

Found 384 hits with Last Name = 'edwards' and Initial = 'pj'   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296131 (CHEMBL564249 | N-(((S)-1-((R)-3-amino-4-(3-chlorop...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 4201-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.109 BindingDB Entry DOI: 10.7270/Q24749XM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302961 ((R)-3-amino-1-((S)-2-(3-(1-(methylsulfonyl)azetidi...) Show SMILES CS(=O)(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H24F3N5O4S/c1-33(30,31)27-9-12(10-27)19-25-20(32-26-19)17-3-2-4-28(17)18(29)7-13(24)5-11-6-15(22)16(23)8-14(11)21/h6,8,12-13,17H,2-5,7,9-10,24H2,1H3/t13-,17+/m1/s1	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296761 (CHEMBL564105 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C1CC1 |r| Show InChI InChI=1S/C20H26F3N3O2/c1-25(20(28)12-4-5-12)11-15-3-2-6-26(15)19(27)9-14(24)7-13-8-17(22)18(23)10-16(13)21/h8,10,12,14-15H,2-7,9,11,24H2,1H3/t14-,15+/m1/s1	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296768 (CHEMBL554908 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CC1(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H22F5N3O2/c20-14-7-16(22)15(21)5-10(14)4-11(25)6-17(28)27-3-1-2-12(27)9-26-18(29)13-8-19(13,23)24/h5,7,11-13H,1-4,6,8-9,25H2,(H,26,29)/t11-,12+,13?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296755 (CHEMBL558452 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)S(=O)(=O)C(F)(F)F |r| Show InChI InChI=1S/C17H21F6N3O3S/c1-25(30(28,29)17(21,22)23)9-12-3-2-4-26(12)16(27)7-11(24)5-10-6-14(19)15(20)8-13(10)18/h6,8,11-12H,2-5,7,9,24H2,1H3/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302972 ((R)-3-amino-1-((S)-2-(5-(3-methyloxetan-3-yl)-1,2,...) Show SMILES CC1(COC1)c1nc(no1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H23F3N4O3/c1-20(9-29-10-20)19-25-18(26-30-19)16-3-2-4-27(16)17(28)7-12(24)5-11-6-14(22)15(23)8-13(11)21/h6,8,12,16H,2-5,7,9-10,24H2,1H3/t12-,16+/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302958 ((R)-3-amino-1-((S)-2-(3-(1-(trifluoromethyl)cyclop...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H20F6N4O2/c21-12-9-14(23)13(22)7-10(12)6-11(27)8-16(31)30-5-1-2-15(30)17-28-18(29-32-17)19(3-4-19)20(24,25)26/h7,9,11,15H,1-6,8,27H2/t11-,15+/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302964 ((R)-3-amino-1-((S)-2-(3-(pyrazin-2-yl)-1,2,4-oxadi...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1cnccn1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H19F3N6O2/c21-13-9-15(23)14(22)7-11(13)6-12(24)8-18(30)29-5-1-2-17(29)20-27-19(28-31-20)16-10-25-3-4-26-16/h3-4,7,9-10,12,17H,1-2,5-6,8,24H2/t12-,17+/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302956 ((R)-3-amino-1-((S)-2-(3-tert-butyl-1,2,4-oxadiazol...) Show SMILES CC(C)(C)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H25F3N4O2/c1-20(2,3)19-25-18(29-26-19)16-5-4-6-27(16)17(28)9-12(24)7-11-8-14(22)15(23)10-13(11)21/h8,10,12,16H,4-7,9,24H2,1-3H3/t12-,16+/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296773 (6-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1COc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3N4O2/c22-17-9-19(24)18(23)7-14(17)6-15(26)8-21(29)28-5-1-2-16(28)12-30-20-4-3-13(10-25)11-27-20/h3-4,7,9,11,15-16H,1-2,5-6,8,12,26H2/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296767 (CHEMBL563901 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H26F3N3O2/c21-16-10-18(23)17(22)8-13(16)7-14(24)9-19(27)26-6-2-5-15(26)11-25-20(28)12-3-1-4-12/h8,10,12,14-15H,1-7,9,11,24H2,(H,25,28)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296772 (2-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1COc1cc(ccn1)C#N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H21F3N4O2/c22-17-10-19(24)18(23)8-14(17)7-15(26)9-21(29)28-5-1-2-16(28)12-30-20-6-13(11-25)3-4-27-20/h3-4,6,8,10,15-16H,1-2,5,7,9,12,26H2/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492164 (CHEMBL2381561) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CC[C@@H]2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H25N7O3/c1-26-20-6-5-15(11-27-20)21-23-22(32(25(33)30-21)8-7-18-4-3-9-34-18)19-10-16(12-28-24(19)35-23)17-13-29-31(2)14-17/h5-6,10-14,18H,3-4,7-9H2,1-2H3,(H,26,27)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492156 (CHEMBL2397560) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(ccc3oc2c(nc1=O)-c1cnn(C)c1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H26N6O3/c1-4-19-10-18(7-8-33-19)31-23-20-9-15(16-11-26-29(2)13-16)5-6-21(20)34-24(23)22(28-25(31)32)17-12-27-30(3)14-17/h5-6,9,11-14,18-19H,4,7-8,10H2,1-3H3/t18-,19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296754 (CHEMBL558647 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CN(C1CC1)S(=O)(=O)C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H23F6N3O3S/c20-15-9-17(22)16(21)7-11(15)6-12(26)8-18(29)27-5-1-2-14(27)10-28(13-3-4-13)32(30,31)19(23,24)25/h7,9,12-14H,1-6,8,10,26H2/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296769 (CHEMBL552069 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1(CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H23F6N3O2/c21-14-9-16(23)15(22)7-11(14)6-12(27)8-17(30)29-5-1-2-13(29)10-28-18(31)19(3-4-19)20(24,25)26/h7,9,12-13H,1-6,8,10,27H2,(H,28,31)/t12-,13+/m1/s1	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492155 (CHEMBL2397554) Show SMILES Cn1cc(cn1)-c1cnc2oc3c(nc(=O)n(CCC4CCCO4)c3c2c1)-c1cnn(C)c1 Show InChI InChI=1S/C23H23N7O3/c1-28-12-15(10-25-28)14-8-18-20-21(33-22(18)24-9-14)19(16-11-26-29(2)13-16)27-23(31)30(20)6-5-17-4-3-7-32-17/h8-13,17H,3-7H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302966 ((R)-3-amino-1-((S)-2-(3-(3,5-difluoropyridin-2-yl)...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncc(F)cc1F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H18F5N5O2/c22-11-6-16(26)19(28-9-11)20-29-21(33-30-20)17-2-1-3-31(17)18(32)7-12(27)4-10-5-14(24)15(25)8-13(10)23/h5-6,8-9,12,17H,1-4,7,27H2/t12-,17+/m1/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492176 (CHEMBL2397567) Show SMILES CN(C)c1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-31(2)21-7-6-16(12-27-21)22-24-23(33(26(34)30-22)9-8-19-5-4-10-35-19)20-11-17(13-28-25(20)36-24)18-14-29-32(3)15-18/h6-7,11-15,19H,4-5,8-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302957 ((R)-3-amino-1-((S)-2-(3-(cyclopropylmethyl)-1,2,4-...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(CC2CC2)no1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H23F3N4O2/c21-14-10-16(23)15(22)8-12(14)7-13(24)9-19(28)27-5-1-2-17(27)20-25-18(26-29-20)6-11-3-4-11/h8,10-11,13,17H,1-7,9,24H2/t13-,17+/m1/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492175 (CHEMBL2397583) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-27-21-7-6-16(12-28-21)22-24-23(33(26(34)31-22)9-8-19-5-3-4-10-35-19)20-11-17(13-29-25(20)36-24)18-14-30-32(2)15-18/h6-7,11-15,19H,3-5,8-10H2,1-2H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296779 (2-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccc1C#N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H22F3N5O/c22-17-10-19(24)18(23)8-14(17)7-15(26)9-20(30)29-6-2-4-16(29)12-28-21-13(11-25)3-1-5-27-21/h1,3,5,8,10,15-16H,2,4,6-7,9,12,26H2,(H,27,28)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492163 (CHEMBL2397557) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c(oc3ccc(nc23)-c2cnn(C)c2)c(nc1=O)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H25N7O3/c1-4-17-9-16(7-8-33-17)31-22-21-19(6-5-18(27-21)14-10-25-29(2)12-14)34-23(22)20(28-24(31)32)15-11-26-30(3)13-15/h5-6,10-13,16-17H,4,7-9H2,1-3H3/t16-,17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296762 (CHEMBL550114 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C18H21F6N3O2/c19-13-7-15(21)14(20)5-10(13)4-11(25)6-17(29)27-3-1-2-12(27)9-26-16(28)8-18(22,23)24/h5,7,11-12H,1-4,6,8-9,25H2,(H,26,28)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492154 (CHEMBL2397572) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C26H27N7O3/c1-4-19-10-18(7-8-35-19)33-23-20-9-16(17-13-30-32(3)14-17)12-29-25(20)36-24(23)22(31-26(33)34)15-5-6-21(27-2)28-11-15/h5-6,9,11-14,18-19H,4,7-8,10H2,1-3H3,(H,27,28)/t18-,19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296781 (6-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)bu...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(cn1)C#N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H22F3N5O/c22-17-9-19(24)18(23)7-14(17)6-15(26)8-21(30)29-5-1-2-16(29)12-28-20-4-3-13(10-25)11-27-20/h3-4,7,9,11,15-16H,1-2,5-6,8,12,26H2,(H,27,28)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296765 (CHEMBL558322 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H28F3N3O2/c1-20(2,3)19(28)25-11-14-5-4-6-26(14)18(27)9-13(24)7-12-8-16(22)17(23)10-15(12)21/h8,10,13-14H,4-7,9,11,24H2,1-3H3,(H,25,28)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296774 ((R)-3-amino-1-((S)-2-((4-(trifluoromethyl)pyrimidi...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1nccc(n1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H21F6N5O/c21-14-9-16(23)15(22)7-11(14)6-12(27)8-18(32)31-5-1-2-13(31)10-29-19-28-4-3-17(30-19)20(24,25)26/h3-4,7,9,12-13H,1-2,5-6,8,10,27H2,(H,28,29,30)/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492168 (CHEMBL2397584) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCOCC2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-27-21-4-3-17(12-28-21)22-24-23(33(26(34)31-22)8-5-16-6-9-35-10-7-16)20-11-18(13-29-25(20)36-24)19-14-30-32(2)15-19/h3-4,11-16H,5-10H2,1-2H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302959 ((R)-3-amino-1-((S)-2-(3-morpholino-1,2,4-oxadiazol...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCOCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H24F3N5O3/c21-14-11-16(23)15(22)9-12(14)8-13(24)10-18(29)28-3-1-2-17(28)19-25-20(26-31-19)27-4-6-30-7-5-27/h9,11,13,17H,1-8,10,24H2/t13-,17+/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302960 ((R)-3-amino-1-((S)-2-(3-(pyrrolidin-1-yl)-1,2,4-ox...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)N1CCCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H24F3N5O2/c21-14-11-16(23)15(22)9-12(14)8-13(24)10-18(29)28-7-3-4-17(28)19-25-20(26-30-19)27-5-1-2-6-27/h9,11,13,17H,1-8,10,24H2/t13-,17+/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302965 ((R)-3-amino-1-((S)-2-(3-(pyrimidin-2-yl)-1,2,4-oxa...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1c1nc(no1)-c1ncccn1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H19F3N6O2/c21-13-10-15(23)14(22)8-11(13)7-12(24)9-17(30)29-6-1-3-16(29)20-27-19(28-31-20)18-25-4-2-5-26-18/h2,4-5,8,10,12,16H,1,3,6-7,9,24H2/t12-,16+/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296780 (6-((((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)b...) Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)c1ccc(cn1)C#N |r| Show InChI InChI=1S/C22H24F3N5O/c1-29(21-5-4-14(11-26)12-28-21)13-17-3-2-6-30(17)22(31)9-16(27)7-15-8-19(24)20(25)10-18(15)23/h4-5,8,10,12,16-17H,2-3,6-7,9,13,27H2,1H3/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492153 (CHEMBL2397563) Show SMILES Cc1nc2cc(ccc2n1C)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C28H27N7O3/c1-16-31-22-12-17(6-7-23(22)34(16)3)24-26-25(35(28(36)32-24)9-8-20-5-4-10-37-20)21-11-18(13-29-27(21)38-26)19-14-30-33(2)15-19/h6-7,11-15,20H,4-5,8-10H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296766 (CHEMBL557723 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCCC1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H28F3N3O2/c22-17-11-19(24)18(23)9-14(17)8-15(25)10-20(28)27-7-3-6-16(27)12-26-21(29)13-4-1-2-5-13/h9,11,13,15-16H,1-8,10,12,25H2,(H,26,29)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492174 (CHEMBL2397586) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCC(C)O2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-15-4-6-19(35-15)8-9-33-23-20-10-17(18-13-30-32(3)14-18)12-29-25(20)36-24(23)22(31-26(33)34)16-5-7-21(27-2)28-11-16/h5,7,10-15,19H,4,6,8-9H2,1-3H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50302962 ((R)-1-((S)-2-(3-(1-acetylazetidin-3-yl)-1,2,4-oxad...) Show SMILES CC(=O)N1CC(C1)c1noc(n1)[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H24F3N5O3/c1-11(30)28-9-13(10-28)20-26-21(32-27-20)18-3-2-4-29(18)19(31)7-14(25)5-12-6-16(23)17(24)8-15(12)22/h6,8,13-14,18H,2-5,7,9-10,25H2,1H3/t14-,18+/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 transfected in Pichia methanolica expression system after 10 mins by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 6340-5 (2009) Article DOI: 10.1016/j.bmcl.2009.09.078 BindingDB Entry DOI: 10.7270/Q2WS8TB2
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492169 (CHEMBL2397582) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C25H25N7O3/c1-26-20-6-5-15(11-27-20)21-23-22(32(25(33)30-21)8-7-18-4-3-9-34-18)19-10-16(12-28-24(19)35-23)17-13-29-31(2)14-17/h5-6,10-14,18H,3-4,7-9H2,1-2H3,(H,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492179 (CHEMBL2397587) Show SMILES CNc1ccc(cn1)-c1nc(=O)n(CCC2(C)CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N7O3/c1-26(7-4-10-35-26)8-9-33-22-19-11-17(18-14-30-32(3)15-18)13-29-24(19)36-23(22)21(31-25(33)34)16-5-6-20(27-2)28-12-16/h5-6,11-15H,4,7-10H2,1-3H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492152 (CHEMBL2397565) Show SMILES COc1ccc(cc1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H25N5O4/c1-30-15-18(14-28-30)17-12-21-23-24(35-25(21)27-13-17)22(16-5-7-19(33-2)8-6-16)29-26(32)31(23)10-9-20-4-3-11-34-20/h5-8,12-15,20H,3-4,9-11H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296776 ((R)-3-amino-1-((S)-2-((pyrimidin-2-ylamino)methyl)...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ncccn1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H22F3N5O/c20-15-10-17(22)16(21)8-12(15)7-13(23)9-18(28)27-6-1-3-14(27)11-26-19-24-4-2-5-25-19/h2,4-5,8,10,13-14H,1,3,6-7,9,11,23H2,(H,24,25,26)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492151 (CHEMBL2397588) Show SMILES CCC1(CC(C1)n1c2c3cc(cnc3oc2c(nc1=O)-c1ccc(NC)nc1)-c1cnn(C)c1)OC |(52.36,-18.14,;51.27,-19.22,;51.67,-20.72,;53.19,-20.95,;52.96,-22.47,;51.44,-22.24,;53.87,-23.71,;53.25,-25.13,;51.78,-25.61,;50.44,-24.85,;49.11,-25.62,;49.11,-27.16,;50.44,-27.93,;51.78,-27.16,;53.25,-27.64,;54.17,-26.38,;55.71,-26.22,;56.33,-24.8,;55.42,-23.54,;56.04,-22.13,;56.61,-27.45,;55.99,-28.86,;56.9,-30.1,;58.43,-29.94,;59.34,-31.18,;60.87,-31.01,;59.05,-28.52,;58.14,-27.28,;47.79,-24.84,;46.38,-25.47,;45.35,-24.32,;46.12,-22.99,;45.49,-21.58,;47.62,-23.31,;50.17,-20.31,;49.78,-18.83,)| Show InChI InChI=1S/C26H27N7O3/c1-5-26(35-4)9-18(10-26)33-22-19-8-16(17-13-30-32(3)14-17)12-29-24(19)36-23(22)21(31-25(33)34)15-6-7-20(27-2)28-11-15/h6-8,11-14,18H,5,9-10H2,1-4H3,(H,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296756 (CHEMBL559602 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)CC(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C17H21F6N3O3S/c18-13-7-15(20)14(19)5-10(13)4-11(24)6-16(27)26-3-1-2-12(26)8-25-30(28,29)9-17(21,22)23/h5,7,11-12,25H,1-4,6,8-9,24H2/t11-,12+/m1/s1	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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492162 (CHEMBL2397549) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c(oc3ccc(nc23)-c2cn(C)cn2)c(nc1=O)-c1cnn(C)c1 |r| Show InChI InChI=1S/C24H25N7O3/c1-4-16-9-15(7-8-33-16)31-22-21-19(6-5-17(27-21)18-12-29(2)13-25-18)34-23(22)20(28-24(31)32)14-10-26-30(3)11-14/h5-6,10-13,15-16H,4,7-9H2,1-3H3/t15-,16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492158 (CHEMBL2397548) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c3cc(ncc3oc2c(nc1=O)-c1cnn(C)c1)-c1cn(C)cn1 |r| Show InChI InChI=1S/C24H25N7O3/c1-4-16-7-15(5-6-33-16)31-22-17-8-18(19-12-29(2)13-26-19)25-10-20(17)34-23(22)21(28-24(31)32)14-9-27-30(3)11-14/h8-13,15-16H,4-7H2,1-3H3/t15-,16-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492173 (CHEMBL2397573) Show SMILES CNc1ccc(nc1)-c1nc(=O)n(CCC2CCCO2)c2c3cc(cnc3oc12)-c1cnn(C)c1 Show InChI InChI=1S/C25H25N7O3/c1-26-17-5-6-20(27-13-17)21-23-22(32(25(33)30-21)8-7-18-4-3-9-34-18)19-10-15(11-28-24(19)35-23)16-12-29-31(2)14-16/h5-6,10-14,18,26H,3-4,7-9H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296763 (CHEMBL557860 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CC(F)(F)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C18H22F5N3O2/c1-18(22,23)17(28)25-9-12-3-2-4-26(12)16(27)7-11(24)5-10-6-14(20)15(21)8-13(10)19/h6,8,11-12H,2-5,7,9,24H2,1H3,(H,25,28)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Reverse transcriptase (Human immunodeficiency virus 1)	BDBM50492150 (CHEMBL2397559) Show SMILES CC[C@H]1C[C@H](CCO1)n1c2c(oc3cc(C#N)c(nc23)-c2cnn(C)c2)c(nc1=O)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H24N8O3/c1-4-18-8-17(5-6-35-18)33-23-22-19(7-14(9-26)20(29-22)15-10-27-31(2)12-15)36-24(23)21(30-25(33)34)16-11-28-32(3)13-16/h7,10-13,17-18H,4-6,8H2,1-3H3/t17-,18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd Curated by ChEMBL					Assay Description Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3967-75 (2013) Article DOI: 10.1016/j.bmcl.2013.04.043 BindingDB Entry DOI: 10.7270/Q26976HF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296771 ((R)-3-amino-1-((S)-2-((2-(trifluoromethyl)pyrimidi...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1COc1ccnc(n1)C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H20F6N4O2/c21-14-9-16(23)15(22)7-11(14)6-12(27)8-18(31)30-5-1-2-13(30)10-32-17-3-4-28-19(29-17)20(24,25)26/h3-4,7,9,12-13H,1-2,5-6,8,10,27H2/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296778 ((R)-3-amino-1-((S)-2-((5-fluoropyridin-2-ylamino)m...) Show SMILES N[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(F)cn1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H22F4N4O/c21-13-3-4-19(26-10-13)27-11-15-2-1-5-28(15)20(29)8-14(25)6-12-7-17(23)18(24)9-16(12)22/h3-4,7,9-10,14-15H,1-2,5-6,8,11,25H2,(H,26,27)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair

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