Compile Data Set for Download or QSAR

Found 88 hits with Last Name = 'kim' and Initial = 'th'   

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
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50439332 (CHEMBL2419745) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1 |r| Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human t-PA				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human t-PA				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human plasmin				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50439332 (CHEMBL2419745) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1 |r| Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM29388 (Exanta | Melagatran | US11584714, Compound 999) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50439332 (CHEMBL2419745) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NCC(O)=O)C(c2ccccc2)c2ccccc2)s1 |r| Show InChI InChI=1S/C28H31N5O4S/c29-26(30)22-14-13-20(38-22)16-32-27(36)21-12-7-15-33(21)28(37)25(31-17-23(34)35)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,21,24-25,31H,7,12,15-17H2,(H3,29,30)(H,32,36)(H,34,35)/t21-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human plasmin				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	8.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human t-PA				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50038001 ((2R,4R)-1-((S)-5-(diaminomethyleneamino)-2-(3-meth...) Show SMILES C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)c1cccc2CC(C)CNc12 Show InChI InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.57E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human plasmin				Bioorg Med Chem Lett 23: 4779-84 (2013) Article DOI: 10.1016/j.bmcl.2013.07.008 BindingDB Entry DOI: 10.7270/Q2X92CR8
					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
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))	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))	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))	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
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
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
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))	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))	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
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
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
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
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
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
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))	BDBM121561 (US8729273, 31) Show SMILES OC(=O)c1cnn(c1)-c1cc(C#N)c2[nH]ccc2c1 Show InChI InChI=1S/C13H8N4O2/c14-5-9-4-11(3-8-1-2-15-12(8)9)17-7-10(6-16-17)13(18)19/h1-4,6-7,15H,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibition of COX2 assessed as inhibition of PGE2 production using arachidonic acid as substrate after 10 mins by ELISA				Bioorg Med Chem Lett 22: 793-6 (2012) Article DOI: 10.1016/j.bmcl.2011.12.072 BindingDB Entry DOI: 10.7270/Q2VT1SJQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Daegu University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using pNPB as substrate measured after 30 mins				Bioorg Med Chem Lett 29: 2079-2084 (2019) Article DOI: 10.1016/j.bmcl.2019.07.008 BindingDB Entry DOI: 10.7270/Q23B63K4
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50262486 (CHEMBL2354678) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)C(CC(C)C)NC=O Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26?,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Department of Food Science and Biotechnology, Daegu University, Gyeongsan 38453, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 27: 4889-4892 (2017) Article DOI: 10.1016/j.bmcl.2017.09.035 BindingDB Entry DOI: 10.7270/Q23J3GFT
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Korea Atomic Energy Research Institute Curated by ChEMBL					Assay Description Inhibition of pig pancreatic lipase assessed as hydrolysis of p-nitrophenylbutyrate to p-nitrophenol				Bioorg Med Chem Lett 23: 1099-103 (2013) Article DOI: 10.1016/j.bmcl.2012.12.003 BindingDB Entry DOI: 10.7270/Q2P55PTG
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Daegu Haany University Curated by ChEMBL					Assay Description Inhibition of pig pancreatic lipase assessed as p-NPB hydrolysis by ELISA				Bioorg Med Chem Lett 21: 1512-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.122 BindingDB Entry DOI: 10.7270/Q2GQ6Z1H
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM24567 ((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...) Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r| Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	600	n/a	n/a	n/a	n/a	6.8	n/a
Korea Atomic Energy Research Institute US Patent					Assay Description Particularly, pancreatic lipase inhibiting activity was measured by the conventional method known to those in the art (Kim, J. H.; Kim, H. J.; Park, ...				US Patent US9328123 (2016) BindingDB Entry DOI: 10.7270/Q2Q81BXH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391834 (CHEMBL2147024) Show SMILES Cc1cc(ccc1-c1ccnc(NCc2cc(n[nH]2)-c2ccccn2)c1)C#N Show InChI InChI=1S/C22H18N6/c1-15-10-16(13-23)5-6-19(15)17-7-9-25-22(11-17)26-14-18-12-21(28-27-18)20-4-2-3-8-24-20/h2-12H,14H2,1H3,(H,25,26)(H,27,28)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human ERG channel IKr expressed in CHO cells by patch clamp assay				ACS Med Chem Lett 3: 678-682 (2012) Article DOI: 10.1021/ml300146q BindingDB Entry DOI: 10.7270/Q23J3F11
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391830 (CHEMBL2147020) Show SMILES Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3ncccc23)c1)C#N Show InChI InChI=1S/C20H16N6/c1-13-9-14(11-21)4-5-16(13)15-6-8-22-19(10-15)24-12-18-17-3-2-7-23-20(17)26-25-18/h2-10H,12H2,1H3,(H,22,24)(H,23,25,26)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human ERG channel IKr expressed in CHO cells by patch clamp assay				ACS Med Chem Lett 3: 678-682 (2012) Article DOI: 10.1021/ml300146q BindingDB Entry DOI: 10.7270/Q23J3F11
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391831 (CHEMBL2147021) Show SMILES Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3nc(F)ccc23)c1)C#N Show InChI InChI=1S/C20H15FN6/c1-12-8-13(10-22)2-3-15(12)14-6-7-23-19(9-14)24-11-17-16-4-5-18(21)25-20(16)27-26-17/h2-9H,11H2,1H3,(H,23,24)(H,25,26,27)	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human ERG channel IKr expressed in CHO cells by patch clamp assay				ACS Med Chem Lett 3: 678-682 (2012) Article DOI: 10.1021/ml300146q BindingDB Entry DOI: 10.7270/Q23J3F11
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM121556 (US8729273, 26) Show SMILES CC(C)n1cc(C#N)c2cc(ccc12)-c1cc(cc(C)n1)C(O)=O Show InChI InChI=1S/C19H17N3O2/c1-11(2)22-10-15(9-20)16-7-13(4-5-18(16)22)17-8-14(19(23)24)6-12(3)21-17/h4-8,10-11H,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	3.94E+3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50391832 (CHEMBL2147022) Show SMILES Cc1cc(ccc1-c1ccnc(NCc2n[nH]c3nc(N)ccc23)c1)C#N Show InChI InChI=1S/C20H17N7/c1-12-8-13(10-21)2-3-15(12)14-6-7-23-19(9-14)24-11-17-16-4-5-18(22)25-20(16)27-26-17/h2-9H,11H2,1H3,(H,23,24)(H3,22,25,26,27)	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	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human ERG channel IKr expressed in CHO cells by patch clamp assay				ACS Med Chem Lett 3: 678-682 (2012) Article DOI: 10.1021/ml300146q BindingDB Entry DOI: 10.7270/Q23J3F11
					More data for this Ligand-Target Pair
Pancreatic triacylglycerol lipase (Sus scrofa (Pig))	BDBM50262488 (CHEMBL4067236) Show SMILES Oc1ccc(CCC(=O)c2c(O)cc(O)c(Cc3c(O)cc(O)c(C(=O)CCc4ccc(O)cc4)c3O)c2O)cc1 Show InChI InChI=1S/C31H28O10/c32-18-7-1-16(2-8-18)5-11-22(34)28-26(38)14-24(36)20(30(28)40)13-21-25(37)15-27(39)29(31(21)41)23(35)12-6-17-3-9-19(33)10-4-17/h1-4,7-10,14-15,32-33,36-41H,5-6,11-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Food Science and Biotechnology, Daegu University, Gyeongsan 38453, Republic of Korea. Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate pretreated for 15 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 27: 4889-4892 (2017) Article DOI: 10.1016/j.bmcl.2017.09.035 BindingDB Entry DOI: 10.7270/Q23J3GFT
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50036635 (CHEMBL3354313) Show SMILES COc1ccc(cn1)-c1nc(CS(=O)(=O)c2cccc(Cl)c2)nc2ccsc12 Show InChI InChI=1S/C19H14ClN3O3S2/c1-26-17-6-5-12(10-21-17)18-19-15(7-8-27-19)22-16(23-18)11-28(24,25)14-4-2-3-13(20)9-14/h2-10H,11H2,1H3	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	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea Curated by ChEMBL					Assay Description Inhibition of recombinant CYP2C9 (unknown origin) after 10 mins by LC-MS/MS analysis				Bioorg Med Chem Lett 24: 5473-7 (2015) Article DOI: 10.1016/j.bmcl.2014.10.007 BindingDB Entry DOI: 10.7270/Q2F191B9
					More data for this Ligand-Target Pair

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