Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'macdonald' and Initial = 'a'   

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
Neprilysin (Homo sapiens (Human))	BDBM50344193 ((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-14-18(33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344195 ((S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazo...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccc(Cl)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H28ClN3O7/c1-33-11-8-16(20(28)29)27-23(9-2-3-10-23)22(32)26-17(21(30)31)12-19-25-13-18(34-19)14-4-6-15(24)7-5-14/h4-7,13,16-17,27H,2-3,8-12H2,1H3,(H,26,32)(H,28,29)(H,30,31)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344191 ((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-14-18(32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50085452 ((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344187 ((S)-2-((S)-1-((S)-2-(biphenyl-4-yl)-1-carboxyethyl...) Show SMILES CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H38N2O5/c1-22(2)13-19-27(33-28(31(36)37)20-16-23-9-5-3-6-10-23)30(35)34-29(32(38)39)21-24-14-17-26(18-15-24)25-11-7-4-8-12-25/h3-12,14-15,17-18,22,27-29,33H,13,16,19-21H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344197 ((S)-2-(1-((S)-1-carboxy-2-(3-phenyl-1,2,4-oxadiazo...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(no1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)25-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-24-18(26-33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,25H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309469 ((R)-1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6...) Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1C[C@H](C)CC1=O |r| Show InChI InChI=1S/C20H29N3O3/c1-12-6-20(24)23(10-12)17-11-22-5-4-13-7-18(25-2)19(26-3)8-14(13)16(22)9-15(17)21/h7-8,12,15-17H,4-6,9-11,21H2,1-3H3/t12-,15+,16+,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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50085452 ((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...) Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309471 ((R)-1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6...) Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1C[C@H](CF)CC1=O |r| Show InChI InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309463 ((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CC(C)CCC1=O Show InChI InChI=1S/C21H31N3O3/c1-13-4-5-21(25)24(11-13)18-12-23-7-6-14-8-19(26-2)20(27-3)9-15(14)17(23)10-16(18)22/h8-9,13,16-18H,4-7,10-12,22H2,1-3H3	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
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344192 ((S)-2-(1-((S)-1-carboxy-2-(4-phenyloxazol-2-yl)eth...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(co1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-18(14-33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344194 ((S)-2-(1-((S)-1-carboxy-2-(4-methyl-5-phenyloxazol...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(C)c(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H31N3O7/c1-15-20(16-8-4-3-5-9-16)34-19(25-15)14-18(22(30)31)26-23(32)24(11-6-7-12-24)27-17(21(28)29)10-13-33-2/h3-5,8-9,17-18,27H,6-7,10-14H2,1-2H3,(H,26,32)(H,28,29)(H,30,31)/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344196 ((S)-2-(1-((S)-1-carboxy-2-(5-phenyl-1,3,4-oxadiazo...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nnc(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)24-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-25-26-18(33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,24H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309470 ((4S)-1-[(2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,...) Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1C[C@@H](CF)CC1=O |r| Show InChI InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50344190 ((S)-2-(1-((S)-1-carboxy-2-(4-phenyloxazol-2-yl)eth...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(co1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-18(14-32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50281657 (CHEMBL434492 | Candoxatrilat | candoxatrilate | ci...) Show SMILES COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(O)=O)C(O)=O |wU:19.23,16.16,wD:6.6,(3.37,-.79,;4.72,-1.56,;4.72,-3.1,;6.05,-3.87,;6.05,-5.41,;7.38,-6.18,;7.38,-7.71,;8.48,-8.8,;9.96,-8.4,;11.29,-7.61,;10.97,-6.11,;9.43,-5.96,;8.82,-7.37,;11.02,-9.52,;11.02,-11.06,;12.35,-8.75,;13.68,-9.52,;15.01,-8.73,;16.34,-9.5,;16.34,-11.04,;15,-11.81,;13.68,-11.04,;17.67,-11.83,;19,-11.07,;17.67,-13.37,;6.05,-8.49,;4.72,-7.71,;6.05,-10.03,)| Show InChI InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309464 ((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CC(C)CC1=O Show InChI InChI=1S/C20H29N3O3/c1-12-6-20(24)23(10-12)17-11-22-5-4-13-7-18(25-2)19(26-3)8-14(13)16(22)9-15(17)21/h7-8,12,15-17H,4-6,9-11,21H2,1-3H3	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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309468 ((S)-1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6...) Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1C[C@@H](C)CC1=O |r| Show InChI InChI=1S/C20H29N3O3/c1-12-6-20(24)23(10-12)17-11-22-5-4-13-7-18(25-2)19(26-3)8-14(13)16(22)9-15(17)21/h7-8,12,15-17H,4-6,9-11,21H2,1-3H3/t12-,15-,16-,17-/m0/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	13	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309465 ((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES CCC1CN(C2CN3CCc4cc(OC)c(OC)cc4C3CC2N)C(=O)C1 Show InChI InChI=1S/C21H31N3O3/c1-4-13-7-21(25)24(11-13)18-12-23-6-5-14-8-19(26-2)20(27-3)9-15(14)17(23)10-16(18)22/h8-9,13,16-18H,4-7,10-12,22H2,1-3H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309462 ((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCC(C)CC1=O Show InChI InChI=1S/C21H31N3O3/c1-13-4-7-24(21(25)8-13)18-12-23-6-5-14-9-19(26-2)20(27-3)10-15(14)17(23)11-16(18)22/h9-10,13,16-18H,4-8,11-12,22H2,1-3H3	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	19	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344189 ((S)-2-(1-((S)-1-carboxy-2-(4-isobutyloxazol-2-yl)e...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC(C)C)co1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H33N3O6/c1-4-7-15(18(25)26)24-21(8-5-6-9-21)20(29)23-16(19(27)28)11-17-22-14(12-30-17)10-13(2)3/h12-13,15-16,24H,4-11H2,1-3H3,(H,23,29)(H,25,26)(H,27,28)/t15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344188 ((S)-2-(1-((S)-1-carboxy-2-(4-ethyloxazol-2-yl)ethy...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC)co1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H29N3O6/c1-3-7-13(16(23)24)22-19(8-5-6-9-19)18(27)21-14(17(25)26)10-15-20-12(4-2)11-28-15/h11,13-14,22H,3-10H2,1-2H3,(H,21,27)(H,23,24)(H,25,26)/t13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309455 (1-((2S,3S,11bS)-2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)N1CCCCC1=O |r| Show InChI InChI=1S/C20H29N3O3/c1-25-18-9-13-6-8-22-12-17(23-7-4-3-5-20(23)24)15(21)11-16(22)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,21H2,1-2H3/t15-,16-,17-/m0/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	22	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344190 ((S)-2-(1-((S)-1-carboxy-2-(4-phenyloxazol-2-yl)eth...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(co1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-18(14-32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50344187 ((S)-2-((S)-1-((S)-2-(biphenyl-4-yl)-1-carboxyethyl...) Show SMILES CC(C)CC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C32H38N2O5/c1-22(2)13-19-27(33-28(31(36)37)20-16-23-9-5-3-6-10-23)30(35)34-29(32(38)39)21-24-14-17-26(18-15-24)25-11-7-4-8-12-25/h3-12,14-15,17-18,22,27-29,33H,13,16,19-21H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)/t27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309454 ((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCCC1=O Show InChI InChI=1S/C20H29N3O3/c1-25-18-9-13-6-8-22-12-17(23-7-4-3-5-20(23)24)15(21)11-16(22)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,21H2,1-2H3	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	30	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344197 ((S)-2-(1-((S)-1-carboxy-2-(3-phenyl-1,2,4-oxadiazo...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(no1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)25-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-24-18(26-33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,25H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344189 ((S)-2-(1-((S)-1-carboxy-2-(4-isobutyloxazol-2-yl)e...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC(C)C)co1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H33N3O6/c1-4-7-15(18(25)26)24-21(8-5-6-9-21)20(29)23-16(19(27)28)11-17-22-14(12-30-17)10-13(2)3/h12-13,15-16,24H,4-11H2,1-3H3,(H,23,29)(H,25,26)(H,27,28)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344191 ((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-14-18(32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344192 ((S)-2-(1-((S)-1-carboxy-2-(4-phenyloxazol-2-yl)eth...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(co1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-18(14-33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB Reactome pathway KEGG 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344188 ((S)-2-(1-((S)-1-carboxy-2-(4-ethyloxazol-2-yl)ethy...) Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(CC)co1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H29N3O6/c1-3-7-13(16(23)24)22-19(8-5-6-9-19)18(27)21-14(17(25)26)10-15-20-12(4-2)11-28-15/h11,13-14,22H,3-10H2,1-2H3,(H,21,27)(H,23,24)(H,25,26)/t13-,14-/m0/s1	PDB Reactome pathway KEGG 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309461 ((SR, SR, SR)-3-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCOC1=O Show InChI InChI=1S/C19H27N3O4/c1-24-17-8-12-4-6-21-11-16(22-5-3-7-26-19(22)23)14(20)10-15(21)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,20H2,1-2H3	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	142	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309459 ((SR, SR, SR)-9,10-Dimethoxy-3-(1-oxo-1lambda*4*-[1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCCS1(=O)=O Show InChI InChI=1S/C19H29N3O4S/c1-25-18-9-13-5-7-21-12-17(22-6-3-4-8-27(22,23)24)15(20)11-16(21)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,20H2,1-2H3	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	142	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344195 ((S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazo...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccc(Cl)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H28ClN3O7/c1-33-11-8-16(20(28)29)27-23(9-2-3-10-23)22(32)26-17(21(30)31)12-19-25-13-18(34-19)14-4-6-15(24)7-5-14/h4-7,13,16-17,27H,2-3,8-12H2,1H3,(H,26,32)(H,28,29)(H,30,31)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM104065 (HS38) Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center					Assay Description HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...				ACS Chem Biol 8: 2715-23 (2013) Article DOI: 10.1021/cb400407c BindingDB Entry DOI: 10.7270/Q24B2ZXR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM104065 (HS38) Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center					Assay Description HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...				ACS Chem Biol 8: 2715-23 (2013) Article DOI: 10.1021/cb400407c BindingDB Entry DOI: 10.7270/Q24B2ZXR
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344194 ((S)-2-(1-((S)-1-carboxy-2-(4-methyl-5-phenyloxazol...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(C)c(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H31N3O7/c1-15-20(16-8-4-3-5-9-16)34-19(25-15)14-18(22(30)31)26-23(32)24(11-6-7-12-24)27-17(21(28)29)10-13-33-2/h3-5,8-9,17-18,27H,6-7,10-14H2,1-2H3,(H,26,32)(H,28,29)(H,30,31)/t17-,18-/m0/s1	PDB Reactome pathway KEGG 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
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344193 ((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-14-18(33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309457 ((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCCCC1=O Show InChI InChI=1S/C21H31N3O3/c1-26-19-10-14-7-9-23-13-18(24-8-5-3-4-6-21(24)25)16(22)12-17(23)15(14)11-20(19)27-2/h10-11,16-18H,3-9,12-13,22H2,1-2H3	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	430	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309453 ((SR, SR, SR)1-(2-amino-9,10-dimethoxy-2,3,4,6,7,11...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCC1=O Show InChI InChI=1S/C19H27N3O3/c1-24-17-8-12-5-7-21-11-16(22-6-3-4-19(22)23)14(20)10-15(21)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,20H2,1-2H3	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	510	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309460 ((SR, SR, SR)-3-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCOC1=O Show InChI InChI=1S/C18H25N3O4/c1-23-16-7-11-3-4-20-10-15(21-5-6-25-18(21)22)13(19)9-14(20)12(11)8-17(16)24-2/h7-8,13-15H,3-6,9-10,19H2,1-2H3	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	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309458 ((SR, SR, SR)-9,10-Dimethoxy-3-(1-oxo-1lambda*4*-is...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCCS1(=O)=O Show InChI InChI=1S/C18H27N3O4S/c1-24-17-8-12-4-6-20-11-16(21-5-3-7-26(21,22)23)14(19)10-15(20)13(12)9-18(17)25-2/h8-9,14-16H,3-7,10-11,19H2,1-2H3	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	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM104065 (HS38) Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center					Assay Description HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...				ACS Chem Biol 8: 2715-23 (2013) Article DOI: 10.1021/cb400407c BindingDB Entry DOI: 10.7270/Q24B2ZXR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM104065 (HS38) Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center					Assay Description HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...				ACS Chem Biol 8: 2715-23 (2013) Article DOI: 10.1021/cb400407c BindingDB Entry DOI: 10.7270/Q24B2ZXR
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 [393-601] (Homo sapiens (Human))	BDBM104065 (HS38) Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center					Assay Description HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...				ACS Chem Biol 8: 2715-23 (2013) Article DOI: 10.1021/cb400407c BindingDB Entry DOI: 10.7270/Q24B2ZXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309467 ((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1C(C)CCC1=O Show InChI InChI=1S/C20H29N3O3/c1-12-4-5-20(24)23(12)17-11-22-7-6-13-8-18(25-2)19(26-3)9-14(13)16(22)10-15(17)21/h8-9,12,15-17H,4-7,10-11,21H2,1-3H3	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Natriuretic peptides A (Homo sapiens (Human))	BDBM50344196 ((S)-2-(1-((S)-1-carboxy-2-(5-phenyl-1,3,4-oxadiazo...) Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nnc(o1)-c1ccccc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)24-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-25-26-18(33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,24H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of atrial natriuretic peptide				Bioorg Med Chem Lett 21: 3404-6 (2011) Article DOI: 10.1016/j.bmcl.2011.03.109 BindingDB Entry DOI: 10.7270/Q2PG1S2F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309456 (1-((2R,3R,11bR)-2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3C[C@H]([C@H](N)C[C@@H]3c2cc1OC)N1CCCCC1=O |r| Show InChI InChI=1S/C20H29N3O3/c1-25-18-9-13-6-8-22-12-17(23-7-4-3-5-20(23)24)15(21)11-16(22)14(13)10-19(18)26-2/h9-10,15-17H,3-8,11-12,21H2,1-2H3/t15-,16-,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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50309466 ((SR, SR, SR)-1-(2-amino-9,10-dimethoxy-2,3,4,6,7,1...) Show SMILES COc1cc2CCN3CC(C(N)CC3c2cc1OC)N1CCC(C)C1=O Show InChI InChI=1S/C20H29N3O3/c1-12-4-7-23(20(12)24)17-11-22-6-5-13-8-18(25-2)19(26-3)9-14(13)16(22)10-15(17)21/h8-9,12,15-17H,4-7,10-11,21H2,1-3H3	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 20: 1109-13 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2009.12.024 BindingDB Entry DOI: 10.7270/Q2222TW8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM104065 (HS38) Show SMILES CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O Show InChI InChI=1S/C14H12ClN5O2S/c1-7(11(16)21)23-14-18-12-10(13(22)19-14)6-17-20(12)9-4-2-3-8(15)5-9/h2-7H,1H3,(H2,16,21)(H,18,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Medical Center					Assay Description HS38 was evaluated using a P-33 ATP filter-binding assay by the International Centre for Kinase Profiling (University of Dundee) against 124 purified...				ACS Chem Biol 8: 2715-23 (2013) Article DOI: 10.1021/cb400407c BindingDB Entry DOI: 10.7270/Q24B2ZXR
					More data for this Ligand-Target Pair

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