BDBM50151244 CHEMBL3770688

SMILES: Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N

InChI Key: InChIKey=FWILDXURZVZYSC-JOCHJYFZSA-N

Data: 17 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50151244   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of human MMP-1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP-14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50151244 (CHEMBL3770688) Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N |r| Show InChI InChI=1S/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
San Raffaele Scientific Institute Curated by ChEMBL					Assay Description Inhibition of ADAM-10 in human KM-H2 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA				Eur J Med Chem 111: 193-201 (2016) BindingDB Entry DOI: 10.7270/Q2765H73
					More data for this Ligand-Target Pair