BDBM114295 (6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6-(4-hydroxybenzyl)piperazine-2,3-quinone::(6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,3-dione::MLS002477314::SMR001399237::cid_53299348

SMILES: Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1

InChI Key: InChIKey=RKZUNRJXUWKLTP-MRXNPFEDSA-N

Data: 2 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 2 hits for monomerid = 114295   

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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T] (Homo sapiens (Human))	BDBM114295 ((6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6...) Show SMILES Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C21H18F6N2O3/c22-20(23,24)14-7-13(8-15(10-14)21(25,26)27)5-6-29-16(11-28-18(31)19(29)32)9-12-1-3-17(30)4-2-12/h1-4,7-8,10,16,30H,5-6,9,11H2,(H,28,31)/t16-/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	8.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZV0
					More data for this Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Homo sapiens (Human))	BDBM114295 ((6R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-6...) Show SMILES Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C21H18F6N2O3/c22-20(23,24)14-7-13(8-15(10-14)21(25,26)27)5-6-29-16(11-28-18(31)19(29)32)9-12-1-3-17(30)4-2-12/h1-4,7-8,10,16,30H,5-6,9,11H2,(H,28,31)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2S46QKQ
					More data for this Ligand-Target Pair