Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'hochman' and Initial = 'c'   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB 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 MMDB PDB Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB 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 MMDB PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13057 (CHEMBL417656 | Compound 9 | Cyclic Sulfate Analogu...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r| Show InChI InChI=1S/C9H15NO10S2/c1-8(2)17-7-6-5(18-22(13,14)19-6)3-15-9(7,20-8)4-16-21(10,11)12/h5-7H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163316 (CHEMBL177425 | N-{[(3aR,5aS,8aS,8bS)-7,7-dimethyl-...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1 Show InChI InChI=1S/C9H16N2O9S2/c1-8(2)17-7-6-5(18-22(14,15)19-6)3-16-9(7,20-8)4-11-21(10,12)13/h5-7,11H,3-4H2,1-2H3,(H2,10,12,13)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163316 (CHEMBL177425 | N-{[(3aR,5aS,8aS,8bS)-7,7-dimethyl-...) Show SMILES CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1 Show InChI InChI=1S/C9H16N2O9S2/c1-8(2)17-7-6-5(18-22(14,15)19-6)3-16-9(7,20-8)4-11-21(10,12)13/h5-7,11H,3-4H2,1-2H3,(H2,10,12,13)/t5-,6-,7+,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13055 (CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM13055 (CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163317 ((3,4-dihydro-2H-chromen-2-yl)methyl sulfamate | CH...) Show SMILES NS(=O)(=O)OCC1CCc2ccccc2O1 Show InChI InChI=1S/C10H13NO4S/c11-16(12,13)14-7-9-6-5-8-3-1-2-4-10(8)15-9/h1-4,9H,5-7H2,(H2,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163318 (CHEMBL175786 | Sulfamic acid benzo[1,3]dioxol-2-yl...) Show SMILES NS(=O)(=O)OCC1Oc2ccccc2O1 Show InChI InChI=1S/C8H9NO5S/c9-15(10,11)12-5-8-13-6-3-1-2-4-7(6)14-8/h1-4,8H,5H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Rattus norvegicus)	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition concentration against carbonic anhydrase II in rat determined in esterase assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163319 (CHEMBL175644 | N-(3,4-dihydro-2H-chromen-2-ylmethy...) Show SMILES NS(=O)(=O)NCC1CCc2ccccc2O1 Show InChI InChI=1S/C10H14N2O3S/c11-16(13,14)12-7-9-6-5-8-3-1-2-4-10(8)15-9/h1-4,9,12H,5-7H2,(H2,11,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163315 (CHEMBL177623 | Sulfamic acid benzo[1,3]dioxol-2-yl...) Show SMILES NS(=O)(=O)NCC1Oc2ccccc2O1 Show InChI InChI=1S/C8H10N2O4S/c9-15(11,12)10-5-8-13-6-3-1-2-4-7(6)14-8/h1-4,8,10H,5H2,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay				J Med Chem 48: 1941-7 (2005) Article DOI: 10.1021/jm040124c BindingDB Entry DOI: 10.7270/Q2SQ9152
					More data for this Ligand-Target Pair