Compile Data Set for Download or QSAR

Found 452 hits with Last Name = 'park' and Initial = 'ws'   

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))	BDBM50337787 ((R)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...) Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25+/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	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337789 ((S)-2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifluoroph...) Show SMILES CC(C)[C@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23+,25+/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121552 (US8729273, 22) Show SMILES OC(=O)c1ccnc(c1)-c1ccc2n(CC3CC3)cc(C#N)c2c1 Show InChI InChI=1S/C19H15N3O2/c20-9-15-11-22(10-12-1-2-12)18-4-3-13(7-16(15)18)17-8-14(19(23)24)5-6-21-17/h3-8,11-12H,1-2,10H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121532 (US8729273, 2) Show SMILES OC(=O)c1cnn(c1)-c1ccc2n(CC3CC3)cc(C#N)c2c1 Show InChI InChI=1S/C17H14N4O2/c18-6-12-9-20(8-11-1-2-11)16-4-3-14(5-15(12)16)21-10-13(7-19-21)17(22)23/h3-5,7,9-11H,1-2,8H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337785 (2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...) Show SMILES CC(C)C(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23?,25?/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	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121531 (US8729273, 1) Show SMILES CC(C)n1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C16H14N4O2/c1-10(2)19-8-11(6-17)14-5-13(3-4-15(14)19)20-9-12(7-18-20)16(21)22/h3-5,7-10H,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121536 (US8729273, 6) Show SMILES COCCn1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C16H14N4O3/c1-23-5-4-19-9-11(7-17)14-6-13(2-3-15(14)19)20-10-12(8-18-20)16(21)22/h2-3,6,8-10H,4-5H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121534 (US8729273, 4) Show SMILES CC(C)Cn1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C17H16N4O2/c1-11(2)8-20-9-12(6-18)15-5-14(3-4-16(15)20)21-10-13(7-19-21)17(22)23/h3-5,7,9-11H,8H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121539 (US8729273, 9) Show SMILES OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CCCC1 Show InChI InChI=1S/C18H16N4O2/c19-8-12-10-21(14-3-1-2-4-14)17-6-5-15(7-16(12)17)22-11-13(9-20-22)18(23)24/h5-7,9-11,14H,1-4H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121547 (US8729273, 17) Show SMILES CC(C)n1cc([N+]([O-])=O)c2cc(ccc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C15H14N4O4/c1-9(2)17-8-14(19(22)23)12-5-11(3-4-13(12)17)18-7-10(6-16-18)15(20)21/h3-9H,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121550 (US8729273, 20) Show SMILES CC(C)n1cc(C#N)c2cc(ccc12)-c1ccc(s1)C(O)=O Show InChI InChI=1S/C17H14N2O2S/c1-10(2)19-9-12(8-18)13-7-11(3-4-14(13)19)15-5-6-16(22-15)17(20)21/h3-7,9-10H,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121543 (US8729273, 13) Show SMILES Cc1nn(cc1C(O)=O)-c1ccc2n(CC3CC3)cc(C#N)c2c1 Show InChI InChI=1S/C18H16N4O2/c1-11-16(18(23)24)10-22(20-11)14-4-5-17-15(6-14)13(7-19)9-21(17)8-12-2-3-12/h4-6,9-10,12H,2-3,8H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM97575 (US8470836, 2) Show SMILES N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C18H19F8N5O3/c19-16(20)3-1-11(32)31(15(16)34)6-8(27)5-12(33)30-4-2-9-10(7-30)28-14(18(24,25)26)29-13(9)17(21,22)23/h8,15,34H,1-7,27H2/t8-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
LG Life Sciences, Ltd. US Patent					Assay Description DPP inhibitory activity using fluoresence assay. Spectra MAX Gemini XS fluorescence spectrometer was used as the fluorescence spectrometer and the e...				US Patent US8470836 (2013) BindingDB Entry DOI: 10.7270/Q2513WT5
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121535 (US8729273, 5) Show SMILES CC(C)(C)Cn1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C18H18N4O2/c1-18(2,3)11-21-9-12(7-19)15-6-14(4-5-16(15)21)22-10-13(8-20-22)17(23)24/h4-6,8-10H,11H2,1-3H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121559 (US8729273, 29) Show SMILES CC(C)c1cc2cc(cc(C#N)c2[nH]1)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C16H14N4O2/c1-9(2)14-5-10-3-13(4-11(6-17)15(10)19-14)20-8-12(7-18-20)16(21)22/h3-5,7-9,19H,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121540 (US8729273, 10) Show SMILES CC(CF)n1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C16H13FN4O2/c1-10(5-17)20-8-11(6-18)14-4-13(2-3-15(14)20)21-9-12(7-19-21)16(22)23/h2-4,7-10H,5H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121541 (US8729273, 11) Show SMILES OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CCOC1 Show InChI InChI=1S/C17H14N4O3/c18-6-11-8-20(14-3-4-24-10-14)16-2-1-13(5-15(11)16)21-9-12(7-19-21)17(22)23/h1-2,5,7-9,14H,3-4,10H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM97581 (US8470836, 8) Show SMILES N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccco1 |r| Show InChI InChI=1S/C21H22F5N5O4/c22-20(23)5-3-15(32)31(19(20)34)9-11(27)8-16(33)30-6-4-12-13(10-30)28-18(14-2-1-7-35-14)29-17(12)21(24,25)26/h1-2,7,11,19,34H,3-6,8-10,27H2/t11-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
LG Life Sciences, Ltd. US Patent					Assay Description DPP inhibitory activity using fluoresence assay. Spectra MAX Gemini XS fluorescence spectrometer was used as the fluorescence spectrometer and the e...				US Patent US8470836 (2013) BindingDB Entry DOI: 10.7270/Q2513WT5
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121533 (US8729273, 3) Show SMILES OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CC1 Show InChI InChI=1S/C16H12N4O2/c17-6-10-8-19(12-1-2-12)15-4-3-13(5-14(10)15)20-9-11(7-18-20)16(21)22/h3-5,7-9,12H,1-2H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337779 (2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...) Show SMILES CC(C)C(Oc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H30F3N3O5S/c1-14(2)23(26(35)36)37-18-5-3-15(4-6-18)13-31-24(34)25-32(7-8-38-25)22(33)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25H,7-9,11,13,30H2,1-2H3,(H,31,34)(H,35,36)/t17-,23?,25?/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	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121551 (US8729273, 21) Show SMILES CC(C)n1cc(C#N)c2cc(ccc12)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H15N3O2/c1-11(2)21-10-14(9-19)15-7-12(3-4-17(15)21)16-8-13(18(22)23)5-6-20-16/h3-8,10-11H,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121554 (US8729273, 24) Show SMILES CC(CF)n1cc(C#N)c2cc(ccc12)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H14FN3O2/c1-11(8-19)22-10-14(9-20)15-6-12(2-3-17(15)22)16-7-13(18(23)24)4-5-21-16/h2-7,10-11H,8H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121537 (US8729273, 7) Show SMILES CCC(C)n1cc(C#N)c2cc(ccc12)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C17H16N4O2/c1-3-11(2)20-9-12(7-18)15-6-14(4-5-16(15)20)21-10-13(8-19-21)17(22)23/h4-6,8-11H,3H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121538 (US8729273, 8) Show SMILES OC(=O)c1cnn(c1)-c1ccc2n(cc(C#N)c2c1)C1CCC1 Show InChI InChI=1S/C17H14N4O2/c18-7-11-9-20(13-2-1-3-13)16-5-4-14(6-15(11)16)21-10-12(8-19-21)17(22)23/h4-6,8-10,13H,1-3H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121555 (US8729273, 25) Show SMILES COCCn1cc(C#N)c2cc(ccc12)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C18H15N3O3/c1-24-7-6-21-11-14(10-19)15-8-12(2-3-17(15)21)16-9-13(18(22)23)4-5-20-16/h2-5,8-9,11H,6-7H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337791 ((R)-2-(4-(((R)-3-((R)-3-amino-4-(2,4,5-trifluoroph...) Show SMILES CC(C)[C@@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121553 (US8729273, 23) Show SMILES OC(=O)c1ccnc(c1)-c1ccc2n(cc(C#N)c2c1)C1CCOC1 Show InChI InChI=1S/C19H15N3O3/c20-9-14-10-22(15-4-6-25-11-15)18-2-1-12(7-16(14)18)17-8-13(19(23)24)3-5-21-17/h1-3,5,7-8,10,15H,4,6,11H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM97585 (US8470836, 12) Show SMILES N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1cccs1 |r| Show InChI InChI=1S/C21H22F5N5O3S/c22-20(23)5-3-15(32)31(19(20)34)9-11(27)8-16(33)30-6-4-12-13(10-30)28-18(14-2-1-7-35-14)29-17(12)21(24,25)26/h1-2,7,11,19,34H,3-6,8-10,27H2/t11-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
LG Life Sciences, Ltd. US Patent					Assay Description DPP inhibitory activity using fluoresence assay. Spectra MAX Gemini XS fluorescence spectrometer was used as the fluorescence spectrometer and the e...				US Patent US8470836 (2013) BindingDB Entry DOI: 10.7270/Q2513WT5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM97579 (US8470836, 6) Show SMILES N[C@H](CN1[C@@H](O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)-c1ccncc1 |r| Show InChI InChI=1S/C22H23F5N6O3/c23-21(24)5-1-16(34)33(20(21)36)10-13(28)9-17(35)32-8-4-14-15(11-32)30-19(12-2-6-29-7-3-12)31-18(14)22(25,26)27/h2-3,6-7,13,20,36H,1,4-5,8-11,28H2/t13-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	25
LG Life Sciences, Ltd. US Patent					Assay Description DPP inhibitory activity using fluoresence assay. Spectra MAX Gemini XS fluorescence spectrometer was used as the fluorescence spectrometer and the e...				US Patent US8470836 (2013) BindingDB Entry DOI: 10.7270/Q2513WT5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM294419 (US9586959, Compound 98) Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2nc(C)nc12 Show InChI InChI=1S/C14H16ClN7/c1-9-17-14-13(21-5-3-20(2)4-6-21)18-12-11(22(14)19-9)7-10(15)8-16-12/h7-8H,3-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	25
C&C RESEARCH LABORATORIES US Patent					Assay Description In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...				US Patent US9586959 (2017) BindingDB Entry DOI: 10.7270/Q2C53NWD
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121557 (US8729273, 27) Show SMILES CC(C)n1cc([N+]([O-])=O)c2cc(ccc12)-c1cc(ccn1)C(O)=O Show InChI InChI=1S/C17H15N3O4/c1-10(2)19-9-16(20(23)24)13-7-11(3-4-15(13)19)14-8-12(17(21)22)5-6-18-14/h3-10H,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121542 (US8729273, 12) Show SMILES CC(C)n1cc(C#N)c2cc(ccc12)-n1cc(C(O)=O)c(C)n1 Show InChI InChI=1S/C17H16N4O2/c1-10(2)20-8-12(7-18)14-6-13(4-5-16(14)20)21-9-15(17(22)23)11(3)19-21/h4-6,8-10H,1-3H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121544 (US8729273, 14) Show SMILES COCCn1cc(C#N)c2cc(ccc12)-n1cc(C(O)=O)c(C)n1 Show InChI InChI=1S/C17H16N4O3/c1-11-15(17(22)23)10-21(19-11)13-3-4-16-14(7-13)12(8-18)9-20(16)5-6-24-2/h3-4,7,9-10H,5-6H2,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337793 ((S)-2-(4-(((R)-3-((R)-3-amino-4-(2,4,5-trifluoroph...) Show SMILES CC(C)[C@H](Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C26H31F3N4O4S/c1-14(2)23(26(36)37)32-18-5-3-15(4-6-18)13-31-24(35)25-33(7-8-38-25)22(34)11-17(30)9-16-10-20(28)21(29)12-19(16)27/h3-6,10,12,14,17,23,25,32H,7-9,11,13,30H2,1-2H3,(H,31,35)(H,36,37)/t17-,23+,25-/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337783 (2-(4-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...) Show SMILES CC(C)(Nc1ccc(CNC(=O)C2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H29F3N4O4S/c1-25(2,24(35)36)31-17-5-3-14(4-6-17)13-30-22(34)23-32(7-8-37-23)21(33)11-16(29)9-15-10-19(27)20(28)12-18(15)26/h3-6,10,12,16,23,31H,7-9,11,13,29H2,1-2H3,(H,30,34)(H,35,36)/t16-,23?/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121548 (US8729273, 18) Show SMILES CC(C)n1cc(C#N)c2cc(ccc12)-n1cnc(n1)C(O)=O Show InChI InChI=1S/C15H13N5O2/c1-9(2)19-7-10(6-16)12-5-11(3-4-13(12)19)20-8-17-14(18-20)15(21)22/h3-5,7-9H,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM97583 (US8470836, 10) Show SMILES COCCc1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1[C@@H](O)C(F)(F)CCC1=O |r| Show InChI InChI=1S/C20H26F5N5O4/c1-34-7-4-14-27-13-10-29(6-3-12(13)17(28-14)20(23,24)25)16(32)8-11(26)9-30-15(31)2-5-19(21,22)18(30)33/h11,18,33H,2-10,26H2,1H3/t11-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	25
LG Life Sciences, Ltd. US Patent					Assay Description DPP inhibitory activity using fluoresence assay. Spectra MAX Gemini XS fluorescence spectrometer was used as the fluorescence spectrometer and the e...				US Patent US8470836 (2013) BindingDB Entry DOI: 10.7270/Q2513WT5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM294378 (US9586959, Compound 31) Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2c2nc(C)nn12 Show InChI InChI=1S/C14H16ClN7/c1-9-17-13-11-7-10(15)8-16-12(11)18-14(22(13)19-9)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	25
C&C RESEARCH LABORATORIES US Patent					Assay Description In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...				US Patent US9586959 (2017) BindingDB Entry DOI: 10.7270/Q2C53NWD
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337788 ((R)-ethyl 2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifl...) Show SMILES CCOC(=O)[C@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r| Show InChI InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25-,27+/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121560 (US8729273, 30) Show SMILES COCc1cc2cc(cc(C#N)c2[nH]1)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C15H12N4O3/c1-22-8-12-2-9-3-13(4-10(5-16)14(9)18-12)19-7-11(6-17-19)15(20)21/h2-4,6-7,18H,8H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM97578 (US8470836, 5) Show SMILES N[C@H](CN1C(O)C(F)(F)CCC1=O)CC(=O)N1CCc2c(C1)nc(nc2C(F)(F)F)C1CCC1 |r| Show InChI InChI=1S/C21H26F5N5O3/c22-20(23)6-4-15(32)31(19(20)34)9-12(27)8-16(33)30-7-5-13-14(10-30)28-18(11-2-1-3-11)29-17(13)21(24,25)26/h11-12,19,34H,1-10,27H2/t12-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	25
LG Life Sciences, Ltd. US Patent					Assay Description DPP inhibitory activity using fluoresence assay. Spectra MAX Gemini XS fluorescence spectrometer was used as the fluorescence spectrometer and the e...				US Patent US8470836 (2013) BindingDB Entry DOI: 10.7270/Q2513WT5
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM97576 (US8470836, 3) Show SMILES CCCc1nc2CN(CCc2c(n1)C(F)(F)F)C(=O)C[C@H](N)CN1C(O)C(F)(F)CCC1=O |r| Show InChI InChI=1S/C20H26F5N5O3/c1-2-3-14-27-13-10-29(7-5-12(13)17(28-14)20(23,24)25)16(32)8-11(26)9-30-15(31)4-6-19(21,22)18(30)33/h11,18,33H,2-10,26H2,1H3/t11-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	25
LG Life Sciences, Ltd. US Patent					Assay Description DPP inhibitory activity using fluoresence assay. Spectra MAX Gemini XS fluorescence spectrometer was used as the fluorescence spectrometer and the e...				US Patent US8470836 (2013) BindingDB Entry DOI: 10.7270/Q2513WT5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM294427 (US9586959, Compound disclosed in WO 2010030785, Ex...) Show SMILES CN1CCN(CC1)c1nc2ccc(Cl)cc2n2cnnc12 Show InChI InChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13/h2-3,8-9H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.7b01855 BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM294427 (US9586959, Compound disclosed in WO 2010030785, Ex...) Show SMILES CN1CCN(CC1)c1nc2ccc(Cl)cc2n2cnnc12 Show InChI InChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13/h2-3,8-9H,4-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	25
C&C RESEARCH LABORATORIES US Patent					Assay Description In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...				US Patent US9586959 (2017) BindingDB Entry DOI: 10.7270/Q2C53NWD
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121558 (US8729273, 28) Show SMILES OC(=O)c1cnn(c1)-c1cc(C#N)c2[nH]c(cc2c1)-c1ccccc1 Show InChI InChI=1S/C19H12N4O2/c20-9-14-7-16(23-11-15(10-21-23)19(24)25)6-13-8-17(22-18(13)14)12-4-2-1-3-5-12/h1-8,10-11,22H,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121549 (US8729273, 19) Show SMILES CC(C)n1cc(C#N)c2cc(ccc12)-n1cnc(c1)C(O)=O Show InChI InChI=1S/C16H14N4O2/c1-10(2)20-7-11(6-17)13-5-12(3-4-15(13)20)19-8-14(16(21)22)18-9-19/h3-5,7-10H,1-2H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Ltd. US Patent					Assay Description Xanthine oxidase originated from bovine milk was incubated for 3 min with test compounds, and the initial velocity of uric acid formation was determi...				US Patent US8729273 (2014) BindingDB Entry DOI: 10.7270/Q2D79937
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50337790 ((S)-ethyl 2-(4-(((S)-3-((R)-3-amino-4-(2,4,5-trifl...) Show SMILES CCOC(=O)[C@@H](Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(C)C |r| Show InChI InChI=1S/C28H35F3N4O4S/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37)/t19-,25+,27+/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader				Bioorg Med Chem Lett 21: 1366-70 (2011) Article DOI: 10.1016/j.bmcl.2011.01.041 BindingDB Entry DOI: 10.7270/Q25B02R9
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM294407 (US9586959, Compound 69 | US9586959, Compound 95) Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.7b01855 BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM294418 (US9586959, Compound 96) Show SMILES CN1CCN(CC1)c1nc2ncc(Br)cc2n2nnnc12 Show InChI InChI=1S/C12H13BrN8/c1-19-2-4-20(5-3-19)11-12-16-17-18-21(12)9-6-8(13)7-14-10(9)15-11/h6-7H,2-5H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	25
C&C RESEARCH LABORATORIES US Patent					Assay Description In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...				US Patent US9586959 (2017) BindingDB Entry DOI: 10.7270/Q2C53NWD
					More data for this Ligand-Target Pair

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