BDBM50351215 CHEMBL1818415

SMILES: COc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1

InChI Key: InChIKey=XMDMNOXHNSLROT-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50351215   

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))	BDBM50351215 (CHEMBL1818415) Show SMILES COc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1 |TLB:19:18:16:12.13.14,THB:19:13:10.18.17:16,14:13:10:17.15.16,14:15:10:12.19.13,9:10:16:12.13.14,(23.71,-37.59,;25.04,-36.81,;26.38,-37.58,;27.72,-36.81,;29.05,-37.58,;29.04,-39.13,;30.38,-39.9,;31.71,-39.13,;31.71,-37.59,;33.05,-39.9,;34.38,-39.13,;35.58,-37.84,;36.91,-38.33,;38.31,-37.99,;38.33,-36.45,;36.92,-35.87,;35.57,-36.35,;35.88,-37.11,;35.88,-38.71,;37.31,-39.27,;27.72,-39.9,;26.38,-39.13,)| Show InChI InChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-18(21)20-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay				Bioorg Med Chem 19: 5585-95 (2011) Article DOI: 10.1016/j.bmc.2011.07.034 BindingDB Entry DOI: 10.7270/Q2V69JZ1
					More data for this Ligand-Target Pair