BDBM50436434 CHEMBL2397138

SMILES: CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=JNPWHXLRBKEIPP-RZDIXWSQSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50436434   

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))	BDBM50436434 (CHEMBL2397138) Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(42.37,-47.49,;41.03,-46.72,;41.04,-45.18,;42.37,-44.41,;39.7,-44.41,;38.36,-45.17,;37.03,-44.4,;37.04,-42.86,;35.71,-42.08,;34.37,-42.85,;34.37,-44.39,;33.04,-45.15,;31.71,-44.39,;31.71,-42.85,;33.04,-42.07,;30.38,-45.16,;29.04,-44.39,;29.04,-42.85,;27.71,-45.16,;26.38,-44.4,;26.38,-42.85,;25.05,-42.09,;23.71,-42.86,;22.38,-42.09,;22.37,-40.55,;21.04,-39.79,;23.7,-39.78,;22.36,-39.01,;23.72,-44.41,;25.05,-45.17,;38.37,-42.09,;39.7,-42.86,)| Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carb...				Bioorg Med Chem Lett 23: 3732-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.011 BindingDB Entry DOI: 10.7270/Q2057HBP
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50436434 (CHEMBL2397138) Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(42.37,-47.49,;41.03,-46.72,;41.04,-45.18,;42.37,-44.41,;39.7,-44.41,;38.36,-45.17,;37.03,-44.4,;37.04,-42.86,;35.71,-42.08,;34.37,-42.85,;34.37,-44.39,;33.04,-45.15,;31.71,-44.39,;31.71,-42.85,;33.04,-42.07,;30.38,-45.16,;29.04,-44.39,;29.04,-42.85,;27.71,-45.16,;26.38,-44.4,;26.38,-42.85,;25.05,-42.09,;23.71,-42.86,;22.38,-42.09,;22.37,-40.55,;21.04,-39.79,;23.7,-39.78,;22.36,-39.01,;23.72,-44.41,;25.05,-45.17,;38.37,-42.09,;39.7,-42.86,)| Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	170	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))	BDBM50436434 (CHEMBL2397138) Show SMILES CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:9.8,wD:12.15,(42.37,-47.49,;41.03,-46.72,;41.04,-45.18,;42.37,-44.41,;39.7,-44.41,;38.36,-45.17,;37.03,-44.4,;37.04,-42.86,;35.71,-42.08,;34.37,-42.85,;34.37,-44.39,;33.04,-45.15,;31.71,-44.39,;31.71,-42.85,;33.04,-42.07,;30.38,-45.16,;29.04,-44.39,;29.04,-42.85,;27.71,-45.16,;26.38,-44.4,;26.38,-42.85,;25.05,-42.09,;23.71,-42.86,;22.38,-42.09,;22.37,-40.55,;21.04,-39.79,;23.7,-39.78,;22.36,-39.01,;23.72,-44.41,;25.05,-45.17,;38.37,-42.09,;39.7,-42.86,)| Show InChI InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	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