Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'wu' and Initial = 'yh'   

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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50553786 (CHEMBL4789106) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38019 (US10093646, Compound 1 | US10301278, Example 00003...) Show SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50546219 (CHEMBL4752026 | US11596633, Compound B | US1170239...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50553783 (Ptpn11 inhibitor tno155 | Shp2 inhibitor tno155 | ...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)[C@@H]1N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM384117 (1-(3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazi...) Show SMILES CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50267750 (CHEMBL1078685) Show SMILES N#Cc1cc(ccn1)-c1n[nH]c(n1)-c1ccncc1 Show InChI InChI=1S/C13H8N6/c14-8-11-7-10(3-6-16-11)13-17-12(18-19-13)9-1-4-15-5-2-9/h1-7H,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50553786 (CHEMBL4789106) Show SMILES CC1(CN)CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM395844 (6-amino-2-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspi...) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc(N)c(Sc3cccnc3C(F)(F)F)c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C20H25F3N6O2S/c1-11-14(24)19(10-31-11)5-8-29(9-6-19)18-27-16(25)13(17(30)28(18)2)32-12-4-3-7-26-15(12)20(21,22)23/h3-4,7,11,14H,5-6,8-10,24-25H2,1-2H3/t11-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50553784 (CHEMBL4762625) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50529001 (CHEMBL4453043) Show SMILES O=C(Nc1ccc(OCc2cccc(c2)C#N)c(c1)-n1cnnn1)c1ccncc1 Show InChI InChI=1S/C21H15N7O2/c22-12-15-2-1-3-16(10-15)13-30-20-5-4-18(11-19(20)28-14-24-26-27-28)25-21(29)17-6-8-23-9-7-17/h1-11,14H,13H2,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50530251 (CHEMBL4439006 | US10975080, Example 75) Show SMILES C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(NC5CC5)c4Cl)c3c(=O)n2C)[C@@H]1N |r| Show InChI InChI=1S/C23H29ClN8O2/c1-12-18(25)23(11-34-12)6-9-32(10-7-23)22-28-19-15(21(33)31(22)2)17(29-30-19)14-5-8-26-20(16(14)24)27-13-3-4-13/h5,8,12-13,18H,3-4,6-7,9-11,25H2,1-2H3,(H,26,27)(H,29,30)/t12-,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50529002 (CHEMBL4455392) Show SMILES Cc1cccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)c1 Show InChI InChI=1S/C21H18N6O2/c1-15-3-2-4-16(11-15)13-29-20-6-5-18(12-19(20)27-14-23-25-26-27)24-21(28)17-7-9-22-10-8-17/h2-12,14H,13H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528987 (CHEMBL4540231) Show SMILES COc1cccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)c1 Show InChI InChI=1S/C21H18N6O3/c1-29-18-4-2-3-15(11-18)13-30-20-6-5-17(12-19(20)27-14-23-25-26-27)24-21(28)16-7-9-22-10-8-16/h2-12,14H,13H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528998 (CHEMBL4444577) Show SMILES Cc1ccccc1COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C21H18N6O2/c1-15-4-2-3-5-17(15)13-29-20-7-6-18(12-19(20)27-14-23-25-26-27)24-21(28)16-8-10-22-11-9-16/h2-12,14H,13H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599790 (CHEMBL5196225) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccccc2Br)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528986 (CHEMBL4435696) Show SMILES COc1ccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)cc1 Show InChI InChI=1S/C21H18N6O3/c1-29-18-5-2-15(3-6-18)13-30-20-7-4-17(12-19(20)27-14-23-25-26-27)24-21(28)16-8-10-22-11-9-16/h2-12,14H,13H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38019 (US10093646, Compound 1 | US10301278, Example 00003...) Show SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599792 (CHEMBL5192102) Show SMILES COc1ccccc1Sc1ncc(nc1N)N1CCC(C)(N)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528990 (CHEMBL4438449) Show SMILES CCCCCCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C21H26N6O2/c1-2-3-4-5-6-7-14-29-20-9-8-18(15-19(20)27-16-23-25-26-27)24-21(28)17-10-12-22-13-11-17/h8-13,15-16H,2-7,14H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528989 (CHEMBL4472263) Show SMILES O=C(Nc1ccc(OCc2ccccc2)c(c1)-n1cnnn1)c1ccncc1 Show InChI InChI=1S/C20H16N6O2/c27-20(16-8-10-21-11-9-16)23-17-6-7-19(18(12-17)26-14-22-24-25-26)28-13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM392330 (US10301278, Example 2) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccccc2Cl)c(N)n1 Show InChI InChI=1S/C16H20ClN5S/c1-16(19)6-8-22(9-7-16)13-10-20-15(14(18)21-13)23-12-5-3-2-4-11(12)17/h2-5,10H,6-9,19H2,1H3,(H2,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528985 (CHEMBL4444217) Show SMILES O=C(Nc1ccc(OCc2ccc(cc2)C#N)c(c1)-n1cnnn1)c1ccncc1 Show InChI InChI=1S/C21H15N7O2/c22-12-15-1-3-16(4-2-15)13-30-20-6-5-18(11-19(20)28-14-24-26-27-28)25-21(29)17-7-9-23-10-8-17/h1-11,14H,13H2,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528980 (CHEMBL4457729) Show SMILES O=C(Nc1ccc(OCc2ccccc2C#N)c(c1)-n1cnnn1)c1ccncc1 Show InChI InChI=1S/C21H15N7O2/c22-12-16-3-1-2-4-17(16)13-30-20-6-5-18(11-19(20)28-14-24-26-27-28)25-21(29)15-7-9-23-10-8-15/h1-11,14H,13H2,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599773 (CHEMBL5176754) Show SMILES NCC1CCN(CC1)c1cnc(Sc2cccc(Cl)c2Cl)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528988 (CHEMBL4530455) Show SMILES COc1ccccc1COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C21H18N6O3/c1-29-19-5-3-2-4-16(19)13-30-20-7-6-17(12-18(20)27-14-23-25-26-27)24-21(28)15-8-10-22-11-9-15/h2-12,14H,13H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528995 (CHEMBL4483545) Show SMILES O=C(Nc1ccc(OC2CCCC2)c(c1)-n1cnnn1)c1ccncc1 Show InChI InChI=1S/C18H18N6O2/c25-18(13-7-9-19-10-8-13)21-14-5-6-17(26-15-3-1-2-4-15)16(11-14)24-12-20-22-23-24/h5-12,15H,1-4H2,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528999 (CHEMBL4522159) Show SMILES Cc1ccc(COc2ccc(NC(=O)c3ccncc3)cc2-n2cnnn2)cc1 Show InChI InChI=1S/C21H18N6O2/c1-15-2-4-16(5-3-15)13-29-20-7-6-18(12-19(20)27-14-23-25-26-27)24-21(28)17-8-10-22-11-9-17/h2-12,14H,13H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528981 (CHEMBL4568537) Show SMILES CCC(C)COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C18H20N6O2/c1-3-13(2)11-26-17-5-4-15(10-16(17)24-12-20-22-23-24)21-18(25)14-6-8-19-9-7-14/h4-10,12-13H,3,11H2,1-2H3,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528997 (CHEMBL4583393) Show SMILES CC(C)CCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C18H20N6O2/c1-13(2)7-10-26-17-4-3-15(11-16(17)24-12-20-22-23-24)21-18(25)14-5-8-19-9-6-14/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50529003 (CHEMBL4584553) Show SMILES CCCCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C19H22N6O2/c1-2-3-4-5-12-27-18-7-6-16(13-17(18)25-14-21-23-24-25)22-19(26)15-8-10-20-11-9-15/h6-11,13-14H,2-5,12H2,1H3,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50529004 (CHEMBL4548828) Show SMILES CC(C)COc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C17H18N6O2/c1-12(2)10-25-16-4-3-14(9-15(16)23-11-19-21-22-23)20-17(24)13-5-7-18-8-6-13/h3-9,11-12H,10H2,1-2H3,(H,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528992 (CHEMBL4448296) Show SMILES CCC(C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C17H18N6O2/c1-3-12(2)25-16-5-4-14(10-15(16)23-11-19-21-22-23)20-17(24)13-6-8-18-9-7-13/h4-12H,3H2,1-2H3,(H,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528996 (CHEMBL4483371) Show SMILES CC(=O)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C15H12N6O3/c1-10(22)24-14-3-2-12(8-13(14)21-9-17-19-20-21)18-15(23)11-4-6-16-7-5-11/h2-9H,1H3,(H,18,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528991 (CHEMBL4466230) Show SMILES CCCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C18H20N6O2/c1-2-3-4-11-26-17-6-5-15(12-16(17)24-13-20-22-23-24)21-18(25)14-7-9-19-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	174	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599795 (CHEMBL5169327) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc3ccccc23)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM392009 (6-(4-amino-4-methylpiperidin-1-yl)-3-((2-(trifluor...) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccccc2C(F)(F)F)c(N)n1 Show InChI InChI=1S/C17H20F3N5S/c1-16(22)6-8-25(9-7-16)13-10-23-15(14(21)24-13)26-12-5-3-2-4-11(12)17(18,19)20/h2-5,10H,6-9,22H2,1H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528993 (CHEMBL4565144) Show SMILES CCCCOc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C17H18N6O2/c1-2-3-10-25-16-5-4-14(11-15(16)23-12-19-21-22-23)20-17(24)13-6-8-18-9-7-13/h4-9,11-12H,2-3,10H2,1H3,(H,20,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50279097 (CHEMBL4160962) Show SMILES O=C(Nc1ccc(OCc2ccccc2C#N)c(c1)C#N)c1ccncc1 Show InChI InChI=1S/C21H14N4O2/c22-12-16-3-1-2-4-17(16)14-27-20-6-5-19(11-18(20)13-23)25-21(26)15-7-9-24-10-8-15/h1-11H,14H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599798 (CHEMBL5196191) Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccco3)c(=O)n2C1c1ccco1 |c:5,t:8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM38029 (US10093646, Example 9 | US10774065, Example 9 | US...) Show SMILES NCC1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H21N3O5S/c1-22-20(26)18-10-19(25)24(11-13-3-8-16-17(9-13)29-12-28-16)21(30-18)23-14-4-6-15(27-2)7-5-14/h3-9,18H,10-12H2,1-2H3,(H,22,26)/b23-21-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599789 (CHEMBL5194002) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccccc2F)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	484	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50528994 (CHEMBL4456880) Show SMILES CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1-n1cnnn1 Show InChI InChI=1S/C16H16N6O2/c1-11(2)24-15-4-3-13(9-14(15)22-10-18-20-21-22)19-16(23)12-5-7-17-8-6-12/h3-11H,1-2H3,(H,19,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 10 mins followed by s...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111717 BindingDB Entry DOI: 10.7270/Q22J6G9V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599778 (CHEMBL5171642) Show SMILES CN1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	695	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599781 (CHEMBL5194617) Show SMILES Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CCNCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	712	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599786 (CHEMBL5176429) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(Cl)c2)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	747	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599788 (CHEMBL5189486) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccccc2)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	811	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599780 (CHEMBL5199730) Show SMILES NCCC1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	858	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599796 (CHEMBL5182415) Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2ccc3ccccc3c2)c(N)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	976	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599783 (CHEMBL5198900) Show SMILES CNC1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50599791 (CHEMBL5193161) Show SMILES Cc1ccccc1Sc1ncc(nc1N)N1CCC(C)(N)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114106 BindingDB Entry DOI: 10.7270/Q26977NN
					More data for this Ligand-Target Pair

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