BDBM158500 US9029401, 2581

SMILES: FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1

InChI Key: InChIKey=AAJZVNIIPZZJJH-RZDIXWSQSA-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 = 158500   

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))	BDBM158500 (US9029401, 2581) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1 |r,wU:16.19,wD:13.12,(-11.34,1.92,;-10,1.15,;-10,-.39,;-11.34,.38,;-8.67,1.92,;-7.34,1.15,;-6,1.92,;-4.67,1.15,;-4.67,-.39,;-3.33,-1.16,;-2,-.39,;-2,1.15,;-.67,-1.16,;.67,-.39,;2,-1.16,;3.33,-.39,;3.33,1.15,;2,1.92,;.67,1.15,;4.67,1.92,;6,1.15,;6,-.39,;7.34,-1.16,;8.73,-.46,;8.67,1.15,;7.34,1.92,;10.06,-1.24,;11.38,-2.03,;-6,-1.16,;-7.34,-.39,)| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)30-19-11-5-16(6-12-19)27-20(28)26-15-3-9-18(10-4-15)29-17-7-1-14(13-25)2-8-17/h1-2,5-8,11-12,15,18H,3-4,9-10H2,(H2,26,27,28)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of California US Patent					Assay Description See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P.; Hock, B.; Hammock, B. D. Anal. Biochem. 343:66-75; 2005) for sEH assay.				US Patent US9029401 (2015) BindingDB Entry DOI: 10.7270/Q24Q7SR4
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM158500 (US9029401, 2581) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1 |r,wU:16.19,wD:13.12,(-11.34,1.92,;-10,1.15,;-10,-.39,;-11.34,.38,;-8.67,1.92,;-7.34,1.15,;-6,1.92,;-4.67,1.15,;-4.67,-.39,;-3.33,-1.16,;-2,-.39,;-2,1.15,;-.67,-1.16,;.67,-.39,;2,-1.16,;3.33,-.39,;3.33,1.15,;2,1.92,;.67,1.15,;4.67,1.92,;6,1.15,;6,-.39,;7.34,-1.16,;8.73,-.46,;8.67,1.15,;7.34,1.92,;10.06,-1.24,;11.38,-2.03,;-6,-1.16,;-7.34,-.39,)| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)30-19-11-5-16(6-12-19)27-20(28)26-15-3-9-18(10-4-15)29-17-7-1-14(13-25)2-8-17/h1-2,5-8,11-12,15,18H,3-4,9-10H2,(H2,26,27,28)/t15-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human FAAH expressed in baculovirus-infected High Five cells S9 fraction using OMP substrate by fluorescence based assay				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM158500 (US9029401, 2581) Show SMILES FC(F)(F)Oc1ccc(NC(=O)N[C@H]2CC[C@@H](CC2)Oc2ccc(cc2)C#N)cc1 |r,wU:16.19,wD:13.12,(-11.34,1.92,;-10,1.15,;-10,-.39,;-11.34,.38,;-8.67,1.92,;-7.34,1.15,;-6,1.92,;-4.67,1.15,;-4.67,-.39,;-3.33,-1.16,;-2,-.39,;-2,1.15,;-.67,-1.16,;.67,-.39,;2,-1.16,;3.33,-.39,;3.33,1.15,;2,1.92,;.67,1.15,;4.67,1.92,;6,1.15,;6,-.39,;7.34,-1.16,;8.73,-.46,;8.67,1.15,;7.34,1.92,;10.06,-1.24,;11.38,-2.03,;-6,-1.16,;-7.34,-.39,)| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)30-19-11-5-16(6-12-19)27-20(28)26-15-3-9-18(10-4-15)29-17-7-1-14(13-25)2-8-17/h1-2,5-8,11-12,15,18H,3-4,9-10H2,(H2,26,27,28)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovirus-infected High Five cells S9 fraction using CMNPC substrate by fluo...				Bioorg Med Chem Lett 28: 762-768 (2018) Article DOI: 10.1016/j.bmcl.2018.01.003 BindingDB Entry DOI: 10.7270/Q2PV6NZ4
					More data for this Ligand-Target Pair