BDBM50319985 CHEMBL1083622::N-(3,3-bis(4-fluorophenyl)propyl)-4-(pyrazin-2-yloxy)piperidine-1-carboxamide

SMILES: Fc1ccc(cc1)C(CCNC(=O)N1CCC(CC1)Oc1cnccn1)c1ccc(F)cc1

InChI Key: InChIKey=MPNWZPXDQGSZCC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50319985   

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
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50319985 (CHEMBL1083622 | N-(3,3-bis(4-fluorophenyl)propyl)-...) Show SMILES Fc1ccc(cc1)C(CCNC(=O)N1CCC(CC1)Oc1cnccn1)c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N4O2/c26-20-5-1-18(2-6-20)23(19-3-7-21(27)8-4-19)9-12-30-25(32)31-15-10-22(11-16-31)33-24-17-28-13-14-29-24/h1-8,13-14,17,22-23H,9-12,15-16H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase assessed as [2-3H]-trans-1,3-diphenyl propylene oxide hydrolysis by cellular assay				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50319985 (CHEMBL1083622 | N-(3,3-bis(4-fluorophenyl)propyl)-...) Show SMILES Fc1ccc(cc1)C(CCNC(=O)N1CCC(CC1)Oc1cnccn1)c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N4O2/c26-20-5-1-18(2-6-20)23(19-3-7-21(27)8-4-19)9-12-30-25(32)31-15-10-22(11-16-31)33-24-17-28-13-14-29-24/h1-8,13-14,17,22-23H,9-12,15-16H2,(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50319985 (CHEMBL1083622 | N-(3,3-bis(4-fluorophenyl)propyl)-...) Show SMILES Fc1ccc(cc1)C(CCNC(=O)N1CCC(CC1)Oc1cnccn1)c1ccc(F)cc1 Show InChI InChI=1S/C25H26F2N4O2/c26-20-5-1-18(2-6-20)23(19-3-7-21(27)8-4-19)9-12-30-25(32)31-15-10-22(11-16-31)33-24-17-28-13-14-29-24/h1-8,13-14,17,22-23H,9-12,15-16H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 20: 3703-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.078 BindingDB Entry DOI: 10.7270/Q2BV7GTJ
					More data for this Ligand-Target Pair