Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50172462   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50172462 (1-[2-Fluoro-4'-(4-trifluoromethyl-cyclohexyloxy)-b...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)| Show InChI InChI=1S/C23H22F4O3/c24-20-13-16(22(11-12-22)21(28)29)5-10-19(20)14-1-6-17(7-2-14)30-18-8-3-15(4-9-18)23(25,26)27/h1-2,5-7,10,13,15,18H,3-4,8-9,11-12H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50172462 (1-[2-Fluoro-4'-(4-trifluoromethyl-cyclohexyloxy)-b...) Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(OC2CCC(CC2)C(F)(F)F)cc1 |(5.41,-14.61,;4.08,-15.38,;4.08,-16.92,;2.74,-14.63,;1.31,-14.05,;2.4,-12.96,;1.41,-15.41,;.08,-14.64,;-1.25,-15.41,;-1.25,-16.95,;.08,-17.72,;.08,-19.26,;1.41,-16.95,;-2.59,-17.72,;-2.58,-19.26,;-3.91,-20.03,;-5.25,-19.26,;-6.6,-20.03,;-7.93,-19.26,;-7.93,-17.72,;-9.26,-16.95,;-10.59,-17.72,;-10.59,-19.26,;-9.26,-20.03,;-11.92,-16.94,;-13.12,-16.22,;-12.16,-15.34,;-13.42,-17.51,;-5.25,-17.72,;-3.92,-16.95,)| Show InChI InChI=1S/C23H22F4O3/c24-20-13-16(22(11-12-22)21(28)29)5-10-19(20)14-1-6-17(7-2-14)30-18-8-3-15(4-9-18)23(25,26)27/h1-2,5-7,10,13,15,18H,3-4,8-9,11-12H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)				J Med Chem 48: 5705-20 (2005) Article DOI: 10.1021/jm0502541 BindingDB Entry DOI: 10.7270/Q2CC106W
					More data for this Ligand-Target Pair