Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50114905   

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))	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
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