Compile Data Set for Download or QSAR

Found 22 hits with Last Name = 'hu' and Initial = 'yg'   

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
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50452815 (CHEMBL2005280) Show SMILES OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1 Show InChI InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Non-competitive inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy based L-B plot				Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50452814 (CHEMBL4212352) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#16-]-[#6](=S)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#16-])=S)-[#6](-[#16-])=S Show InChI InChI=1S/C9H15N3S6/c13-7(14)10-1-2-11(8(15)16)5-6-12(4-3-10)9(17)18/h1-6H2,(H,13,14)(H,15,16)(H,17,18)/p-3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Non-competitive inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy based L-B plot				Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50452815 (CHEMBL2005280) Show SMILES OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1 Show InChI InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy				Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223126 (P5i-7) Show SMILES NC(=S)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H10ClN3OS/c13-9-3-1-8(2-4-9)11-6-5-10(17-11)7-15-16-12(14)18/h1-7H,(H3,14,16,18)/b15-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223131 (2-((5-(4-methoxyphenyl)furan-2-yl)methylene)hydraz...) Show SMILES COc1ccc(cc1)-c1ccc(\C=N\NC(N)=O)o1 Show InChI InChI=1S/C13H13N3O3/c1-18-10-4-2-9(3-5-10)12-7-6-11(19-12)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17)/b15-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223136 (2-((6-(4-chlorophenyl)pyridin-2-yl)methylene)hydra...) Show SMILES NC(=O)N\N=C\c1cccc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H11ClN4O/c14-10-6-4-9(5-7-10)12-3-1-2-11(17-12)8-16-18-13(15)19/h1-8H,(H3,15,18,19)/b16-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223134 (2-((4′-chloro-[1,1′-biphenyl]-3-yl)met...) Show SMILES NC(=O)N\N=C\c1cccc(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C14H12ClN3O/c15-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM50452814 (CHEMBL4212352) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#16-]-[#6](=S)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#16-])=S)-[#6](-[#16-])=S Show InChI InChI=1S/C9H15N3S6/c13-7(14)10-1-2-11(8(15)16)5-6-12(4-3-10)9(17)18/h1-6H2,(H,13,14)(H,15,16)(H,17,18)/p-3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of NDM1 in Escherichia coli BL21 (DE3) using MEPM substrate incubated for 15 mins by UV spectroscopy				Bioorg Med Chem Lett 28: 214-221 (2018) Article DOI: 10.1016/j.bmcl.2017.10.074 BindingDB Entry DOI: 10.7270/Q20R9S04
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223135 (2-((5-(4-chlorophenyl)pyridin-3-yl)methylene)hydra...) Show SMILES NC(=O)N\N=C\c1cncc(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C13H11ClN4O/c14-12-3-1-10(2-4-12)11-5-9(6-16-8-11)7-17-18-13(15)19/h1-8H,(H3,15,18,19)/b17-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223127 (2-((5-phenylfuran-2-yl)methylene)hydrazinecarboxam...) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccccc1 Show InChI InChI=1S/C12H11N3O2/c13-12(16)15-14-8-10-6-7-11(17-10)9-4-2-1-3-5-9/h1-8H,(H3,13,15,16)/b14-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223129 (2-((5-(4-fluorophenyl)furan-2-yl)methylene)hydrazi...) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(F)cc1 Show InChI InChI=1S/C12H10FN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223133 (2-((5-(2-amino-4-chlorophenyl)furan-2-yl)methylene...) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1N Show InChI InChI=1S/C12H11ClN4O2/c13-7-1-3-9(10(14)5-7)11-4-2-8(19-11)6-16-17-12(15)18/h1-6H,14H2,(H3,15,17,18)/b16-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223128 (2-((5-(3-fluorophenyl)furan-2-yl)methylene)hydrazi...) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1cccc(F)c1 Show InChI InChI=1S/C12H10FN3O2/c13-9-3-1-2-8(6-9)11-5-4-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223130 (2-((5-(4-nitrophenyl)furan-2-yl)methylene)hydrazin...) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H10N4O4/c13-12(17)15-14-7-10-5-6-11(20-10)8-1-3-9(4-2-8)16(18)19/h1-7H,(H3,13,15,17)/b14-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM223132 (2-((5-(4-aminophenyl)furan-2-yl)methylene)hydrazin...) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(N)cc1 Show InChI InChI=1S/C12H12N4O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,13H2,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 5 (Homo sapiens (Human))	BDBM8460 (5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-su...) Show SMILES Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1 Show InChI InChI=1S/C15H9ClN2O3S/c16-9-3-1-8(2-4-9)12-6-5-10(21-12)7-11-13(19)17-15(22)18-14(11)20/h1-7H,(H2,17,18,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM223137 (P5i-6) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 7 (Homo sapiens (Human))	BDBM223137 (P5i-6) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM223137 (P5i-6) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S] (Homo sapiens (Human))	BDBM223137 (P5i-6) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM223137 (P5i-6) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM223137 (P5i-6) Show SMILES NC(=O)N\N=C\c1ccc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C12H10ClN3O2/c13-9-3-1-8(2-4-9)11-6-5-10(18-11)7-15-16-12(14)17/h1-7H,(H3,14,16,17)/b15-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	25
Sichuan University					Assay Description All in vitro enzymatic assays were carried out by Shanghai ChemPartner Co. (998 Halei Road, Pudong New Area, Shanghai, 201203, China). To measure the...				Chem Biol Drug Des 89: 585-598 (2017) Article DOI: 10.1111/cbdd.12881 BindingDB Entry DOI: 10.7270/Q21V5CTR
					More data for this Ligand-Target Pair