Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'daetwyler' and Initial = 's'   

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
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114917 ((3R,5S)-5-[4-(4-Fluoro-benzyl)-5-methylsulfanyl-4H...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1Cc1ccc(F)cc1 Show InChI InChI=1S/C24H23FN4O2S3/c1-33-24-27-26-23(28(24)14-16-6-9-19(25)10-7-16)22-13-20(32)15-29(22)34(30,31)21-11-8-17-4-2-3-5-18(17)12-21/h2-12,20,22,32H,13-15H2,1H3/t20-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114905 ((3R,5S)-5-[5-Methylsulfanyl-4-(2,3,5,6-tetrafluoro...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1c(F)c(F)cc(F)c1F |wU:6.5,wD:8.8,(8.53,-9.12,;7.44,-10.19,;5.95,-9.78,;5.41,-8.35,;3.88,-8.39,;3.46,-9.89,;1.97,-9.48,;1.4,-8.02,;-.14,-8.1,;-1.11,-6.9,;-.56,-9.61,;.75,-10.45,;.82,-11.99,;2.19,-12.69,;-.68,-11.57,;-.47,-12.82,;-.39,-14.34,;-1.68,-15.18,;-3.05,-14.48,;-4.34,-15.3,;-5.69,-14.62,;-5.78,-13.08,;-4.49,-12.24,;-3.12,-12.95,;-1.83,-12.11,;4.74,-10.73,;4.81,-12.27,;6.16,-12.97,;7.47,-12.16,;6.23,-14.51,;7.61,-15.21,;4.93,-15.35,;3.58,-14.63,;2.27,-15.44,;3.51,-13.09,;2.73,-11.76,)| Show InChI InChI=1S/C23H18F4N4O2S3/c1-35-23-29-28-22(31(23)21-19(26)16(24)10-17(25)20(21)27)18-9-14(34)11-30(18)36(32,33)15-7-6-12-4-2-3-5-13(12)8-15/h2-8,10,14,18,34H,9,11H2,1H3/t14-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114911 ((3R,5S)-1-(Naphthalene-2-sulfonyl)-5-(4-phenyl-5-p...) Show SMILES CCCSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1 Show InChI InChI=1S/C25H26N4O2S3/c1-2-14-33-25-27-26-24(29(25)20-10-4-3-5-11-20)23-16-21(32)17-28(23)34(30,31)22-13-12-18-8-6-7-9-19(18)15-22/h3-13,15,21,23,32H,2,14,16-17H2,1H3/t21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114908 ((3R,5S)-5-[5-Methylsulfanyl-4-(4-trifluoromethyl-p...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H21F3N4O2S3/c1-35-23-29-28-22(31(23)18-9-7-17(8-10-18)24(25,26)27)21-13-19(34)14-30(21)36(32,33)20-11-6-15-4-2-3-5-16(15)12-20/h2-12,19,21,34H,13-14H2,1H3/t19-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114915 ((3R,5S)-5-(5-Methylsulfanyl-4-phenyl-4H-[1,2,4]tri...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1 Show InChI InChI=1S/C23H22N4O2S3/c1-31-23-25-24-22(27(23)18-9-3-2-4-10-18)21-14-19(30)15-26(21)32(28,29)20-12-11-16-7-5-6-8-17(16)13-20/h2-13,19,21,30H,14-15H2,1H3/t19-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114904 ((3R,5S)-5-(5-Cyclopropylmethylsulfanyl-4-phenyl-4H...) Show SMILES S[C@@H]1C[C@H](N(C1)S(=O)(=O)c1ccc2ccccc2c1)c1nnc(SCC2CC2)n1-c1ccccc1 Show InChI InChI=1S/C26H26N4O2S3/c31-35(32,23-13-12-19-6-4-5-7-20(19)14-23)29-16-22(33)15-24(29)25-27-28-26(34-17-18-10-11-18)30(25)21-8-2-1-3-9-21/h1-9,12-14,18,22,24,33H,10-11,15-17H2/t22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114914 ((3R,5S)-5-(5-Isobutylsulfanyl-4-phenyl-4H-[1,2,4]t...) Show SMILES CC(C)CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1 Show InChI InChI=1S/C26H28N4O2S3/c1-18(2)17-34-26-28-27-25(30(26)21-10-4-3-5-11-21)24-15-22(33)16-29(24)35(31,32)23-13-12-19-8-6-7-9-20(19)14-23/h3-14,18,22,24,33H,15-17H2,1-2H3/t22-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114919 ((3R,5S)-5-(5-Methylsulfanyl-4-phenyl-4H-[1,2,4]tri...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N1C[C@H](S)C[C@H]1c1nnc(SC)n1-c1ccccc1 Show InChI InChI=1S/C22H26N4O2S3/c1-3-7-16-10-12-19(13-11-16)31(27,28)25-15-18(29)14-20(25)21-23-24-22(30-2)26(21)17-8-5-4-6-9-17/h4-6,8-13,18,20,29H,3,7,14-15H2,1-2H3/t18-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114916 ((3R,5S)-5-[4-(3-Chloro-4-fluoro-phenyl)-5-methylsu...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C23H20ClFN4O2S3/c1-33-23-27-26-22(29(23)16-7-9-20(25)19(24)11-16)21-12-17(32)13-28(21)34(30,31)18-8-6-14-4-2-3-5-15(14)10-18/h2-11,17,21,32H,12-13H2,1H3/t17-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114910 ((3R,5S)-1-(4-Chloro-benzenesulfonyl)-5-(5-methylsu...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(Cl)cc2)n1-c1ccccc1 Show InChI InChI=1S/C19H19ClN4O2S3/c1-28-19-22-21-18(24(19)14-5-3-2-4-6-14)17-11-15(27)12-23(17)29(25,26)16-9-7-13(20)8-10-16/h2-10,15,17,27H,11-12H2,1H3/t15-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114906 ((3R,5S)-5-(5-Methylsulfanyl-4-phenyl-4H-[1,2,4]tri...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(cc2)C(F)(F)F)n1-c1ccccc1 Show InChI InChI=1S/C20H19F3N4O2S3/c1-31-19-25-24-18(27(19)14-5-3-2-4-6-14)17-11-15(30)12-26(17)32(28,29)16-9-7-13(8-10-16)20(21,22)23/h2-10,15,17,30H,11-12H2,1H3/t15-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114912 ((2S,4R)-4-Mercapto-2-(5-methylsulfanyl-4-phenyl-4H...) Show SMILES CCCCOC(=O)N1C[C@H](S)C[C@H]1c1nnc(SC)n1-c1ccccc1 Show InChI InChI=1S/C18H24N4O2S2/c1-3-4-10-24-18(23)21-12-14(25)11-15(21)16-19-20-17(26-2)22(16)13-8-6-5-7-9-13/h5-9,14-15,25H,3-4,10-12H2,1-2H3/t14-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114909 ((3R,5S)-5-(5-Methylsulfanyl-4-phenyl-4H-[1,2,4]tri...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(C)cc2)n1-c1ccccc1 Show InChI InChI=1S/C20H22N4O2S3/c1-14-8-10-17(11-9-14)29(25,26)23-13-16(27)12-18(23)19-21-22-20(28-2)24(19)15-6-4-3-5-7-15/h3-11,16,18,27H,12-13H2,1-2H3/t16-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114907 ((3R,5S)-1-(4-Fluoro-benzenesulfonyl)-5-(5-methylsu...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(F)cc2)n1-c1ccccc1 Show InChI InChI=1S/C19H19FN4O2S3/c1-28-19-22-21-18(24(19)14-5-3-2-4-6-14)17-11-15(27)12-23(17)29(25,26)16-9-7-13(20)8-10-16/h2-10,15,17,27H,11-12H2,1H3/t15-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114918 ((3R,5S)-1-Methanesulfonyl-5-(5-methylsulfanyl-4-ph...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2S(C)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C14H18N4O2S3/c1-22-14-16-15-13(18(14)10-6-4-3-5-7-10)12-8-11(21)9-17(12)23(2,19)20/h3-7,11-12,21H,8-9H2,1-2H3/t11-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50114913 ((2S,4R)-4-Mercapto-2-(5-methylsulfanyl-4-phenyl-4H...) Show SMILES CSc1nnc([C@@H]2C[C@@H](S)CN2C(=O)Nc2ccc(F)cc2)n1-c1ccccc1 Show InChI InChI=1S/C20H20FN5OS2/c1-29-20-24-23-18(26(20)15-5-3-2-4-6-15)17-11-16(28)12-25(17)19(27)22-14-9-7-13(21)8-10-14/h2-10,16-17,28H,11-12H2,1H3,(H,22,27)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM				Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S
					More data for this Ligand-Target Pair