Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'kastrati' and Initial = 'i'   

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
Estrogen receptor (Homo sapiens (Human))	BDBM19443 (2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H27NO4S/c29-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19443 (2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H27NO4S/c29-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19446 (2-phenyl-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccccc1 Show InChI InChI=1S/C27H27NO3S/c29-21-9-14-24-25(19-21)32-27(20-7-3-1-4-8-20)26(24)31-23-12-10-22(11-13-23)30-18-17-28-15-5-2-6-16-28/h1,3-4,7-14,19,29H,2,5-6,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10.9	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19446 (2-phenyl-3-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccccc1 Show InChI InChI=1S/C27H27NO3S/c29-21-9-14-24-25(19-21)32-27(20-7-3-1-4-8-20)26(24)31-23-12-10-22(11-13-23)30-18-17-28-15-5-2-6-16-28/h1,3-4,7-14,19,29H,2,5-6,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16.3	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19444 (2-(4-fluorophenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H26FNO3S/c28-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-29-14-2-1-3-15-29/h4-13,18,30H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17.2	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19448 (2-(4-aminophenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES Nc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28N2O3S/c28-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-29-14-2-1-3-15-29/h4-13,18,30H,1-3,14-17,28H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.3	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20.6	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19442 (2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...) Show SMILES COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.5	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19445 (2-(4-bromophenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C27H26BrNO3S/c28-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-29-14-2-1-3-15-29/h4-13,18,30H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19447 (2-(4-methanesulfonylphenyl)-3-{4-[2-(piperidin-1-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H29NO5S2/c1-36(31,32)24-12-5-20(6-13-24)28-27(25-14-7-21(30)19-26(25)35-28)34-23-10-8-22(9-11-23)33-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19444 (2-(4-fluorophenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H26FNO3S/c28-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-29-14-2-1-3-15-29/h4-13,18,30H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.9	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19450 (2-{4-[(2-chloroethyl)amino]phenyl}-3-{4-[2-(piperi...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(NCCCl)cc1 Show InChI InChI=1S/C29H31ClN2O3S/c30-14-15-31-22-6-4-21(5-7-22)29-28(26-13-8-23(33)20-27(26)36-29)35-25-11-9-24(10-12-25)34-19-18-32-16-2-1-3-17-32/h4-13,20,31,33H,1-3,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35.6	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19448 (2-(4-aminophenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES Nc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H28N2O3S/c28-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-29-14-2-1-3-15-29/h4-13,18,30H,1-3,14-17,28H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.6	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19442 (2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...) Show SMILES COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66.3	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19445 (2-(4-bromophenyl)-3-{4-[2-(piperidin-1-yl)ethoxy]p...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C27H26BrNO3S/c28-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-29-14-2-1-3-15-29/h4-13,18,30H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66.7	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	557	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM19449 (2-chloro-N-[4-(6-hydroxy-3-{4-[2-(piperidin-1-yl)e...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(NC(=O)CCl)cc1 Show InChI InChI=1S/C29H29ClN2O4S/c30-19-27(34)31-21-6-4-20(5-7-21)29-28(25-13-8-22(33)18-26(25)37-29)36-24-11-9-23(10-12-24)35-17-16-32-14-2-1-3-15-32/h4-13,18,33H,1-3,14-17,19H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	666	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19450 (2-{4-[(2-chloroethyl)amino]phenyl}-3-{4-[2-(piperi...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(NCCCl)cc1 Show InChI InChI=1S/C29H31ClN2O3S/c30-14-15-31-22-6-4-21(5-7-22)29-28(26-13-8-23(33)20-27(26)36-29)35-25-11-9-24(10-12-25)34-19-18-32-16-2-1-3-17-32/h4-13,20,31,33H,1-3,14-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.60E+3	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19447 (2-(4-methanesulfonylphenyl)-3-{4-[2-(piperidin-1-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H29NO5S2/c1-36(31,32)24-12-5-20(6-13-24)28-27(25-14-7-21(30)19-26(25)35-28)34-23-10-8-22(9-11-23)33-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19449 (2-chloro-N-[4-(6-hydroxy-3-{4-[2-(piperidin-1-yl)e...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(NC(=O)CCl)cc1 Show InChI InChI=1S/C29H29ClN2O4S/c30-19-27(34)31-21-6-4-20(5-7-21)29-28(25-13-8-22(33)18-26(25)37-29)36-24-11-9-23(10-12-24)35-17-16-32-14-2-1-3-15-32/h4-13,18,33H,1-3,14-17,19H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	7.5	22
University of Illinois at Chicago					Assay Description Arzoxifene and its analogues were assayed in the standard ER competitive radioligand binding assay, using full length human recombinant ER-alpha and ...				J Med Chem 50: 2682-92 (2007) Article DOI: 10.1021/jm070079j BindingDB Entry DOI: 10.7270/Q2VQ30Z9
					More data for this Ligand-Target Pair