BDBM50446781 CHEMBL3114611

SMILES: O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1

InChI Key: InChIKey=SAKQSHLUPVUJDT-UXHICEINSA-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 = 50446781   

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))	BDBM50446781 (CHEMBL3114611) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1 |r| Show InChI InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay				Bioorg Med Chem 22: 1548-57 (2014) Article DOI: 10.1016/j.bmc.2014.01.040 BindingDB Entry DOI: 10.7270/Q22F7PW9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epoxide hydrolase 2 (Rattus norvegicus)	BDBM50446781 (CHEMBL3114611) Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1 |r| Show InChI InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay				Bioorg Med Chem 22: 1548-57 (2014) Article DOI: 10.1016/j.bmc.2014.01.040 BindingDB Entry DOI: 10.7270/Q22F7PW9
					More data for this Ligand-Target Pair