BDBM50066845 CHEMBL3401634

SMILES: OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2[C@@H]([C@@H]2c2ccccc2)c2ccccc2)cc1

InChI Key: InChIKey=VQQDJLMIDZHNMF-WLNZHLEZSA-N

Data: 2 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 2 hits for monomerid = 50066845   

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
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50066845 (CHEMBL3401634) Show SMILES OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2[C@@H]([C@@H]2c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H32N2O4/c33-26(34)16-13-21-11-14-24(15-12-21)36-25-17-19-32(20-18-25)30(35)31-29-27(22-7-3-1-4-8-22)28(29)23-9-5-2-6-10-23/h1-12,14-15,25,27-29H,13,16-20H2,(H,31,35)(H,33,34)/t27-,28+,29+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant rat soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader				Bioorg Med Chem Lett 25: 1705-8 (2015) Article DOI: 10.1016/j.bmcl.2015.02.076 BindingDB Entry DOI: 10.7270/Q25H7HX9
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50066845 (CHEMBL3401634) Show SMILES OC(=O)CCc1ccc(OC2CCN(CC2)C(=O)N[C@H]2[C@@H]([C@@H]2c2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H32N2O4/c33-26(34)16-13-21-11-14-24(15-12-21)36-25-17-19-32(20-18-25)30(35)31-29-27(22-7-3-1-4-8-22)28(29)23-9-5-2-6-10-23/h1-12,14-15,25,27-29H,13,16-20H2,(H,31,35)(H,33,34)/t27-,28+,29+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human soluble epoxide hydrolase assessed as increase in fluorescence intensity by fluorescence plate reader				Bioorg Med Chem Lett 25: 1705-8 (2015) Article DOI: 10.1016/j.bmcl.2015.02.076 BindingDB Entry DOI: 10.7270/Q25H7HX9
					More data for this Ligand-Target Pair				3D Structure (crystal)