BDBM50435746 CHEMBL2392705

SMILES: CNc1cc(C)cc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F

InChI Key: InChIKey=DFPRUHMBCYYPQC-UHFFFAOYSA-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 = 50435746   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50435746 (CHEMBL2392705) Show SMILES CNc1cc(C)cc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O/c1-15-11-18(26-2)13-19(12-15)28-9-7-16(8-10-28)21(29)27-14-17-5-3-4-6-20(17)22(23,24)25/h3-6,11-13,16,26H,7-10,14H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50435746 (CHEMBL2392705) Show SMILES CNc1cc(C)cc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O/c1-15-11-18(26-2)13-19(12-15)28-9-7-16(8-10-28)21(29)27-14-17-5-3-4-6-20(17)22(23,24)25/h3-6,11-13,16,26H,7-10,14H2,1-2H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using PHOME as substrate assessed as formation of 6-methoxy-2-naphthaldehyde incubated for 10 mins prio...				Bioorg Med Chem Lett 23: 3584-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.019 BindingDB Entry DOI: 10.7270/Q2J967S5
					More data for this Ligand-Target Pair