BDBM335500 (1R,3R,11aS)-6-hydroxy-5,7-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,5,7,11,11a-hexahydro-1H-1,3-methanopyrido[1,2-a]pyrrolo[1,2-d]pyrazine-8-carboxamide::US9732092, Compound 96

SMILES: Oc1c2C(=O)N3C4CC(C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O

InChI Key: InChIKey=WLUKZOBHSBTVFB-CCRXRLBGSA-N

Data: 1 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 1 hit for monomerid = 335500   

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
Solute carrier family 22 member 2 (Homo sapiens (Human))	BDBM335500 ((1R,3R,11aS)-6-hydroxy-5,7-dioxo-N-(2,4,6-trifluor...) Show SMILES Oc1c2C(=O)N3C4CC(C4)[C@H]3Cn2cc(C(=O)NCc2c(F)cc(F)cc2F)c1=O |r,wU:10.11,TLB:3:5:7:9,THB:11:10:7:9,(-8.13,-20.84,;-8.13,-19.3,;-9.46,-18.53,;-10.8,-19.3,;-10.8,-20.84,;-12.13,-18.53,;-13.62,-18.54,;-14.71,-19.62,;-13.67,-16.99,;-14.76,-15.91,;-12.13,-16.99,;-10.8,-16.22,;-9.46,-16.99,;-8.13,-16.22,;-6.79,-16.99,;-5.46,-16.22,;-5.46,-14.68,;-4.13,-16.99,;-2.79,-16.22,;-1.46,-16.99,;-1.46,-18.53,;-2.79,-19.3,;-.13,-19.3,;1.21,-18.53,;2.54,-19.3,;1.21,-16.99,;-.13,-16.22,;-.13,-14.68,;-6.79,-18.53,;-5.46,-19.3,)| Show InChI InChI=1S/C20H16F3N3O4/c21-9-3-13(22)11(14(23)4-9)5-24-19(29)12-6-25-7-15-8-1-10(2-8)26(15)20(30)16(25)18(28)17(12)27/h3-4,6,8,10,15,28H,1-2,5,7H2,(H,24,29)/t8?,10?,15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Test compounds were serially diluted in DMSO and then spiked (2 μL) into in 0.4 mL KHB buffer containing wild-type or OCT2-transfected cells and...				US Patent US9732092 (2017) BindingDB Entry DOI: 10.7270/Q2SN0C2R
					More data for this Ligand-Target Pair