BDBM50274167 CHEMBL4127661

SMILES: S=C(NC1C2CC3CC(C2)CC1C3)Nc1ccccc1

InChI Key: InChIKey=OKRXPEWGNVSLQB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50274167   

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)	BDBM50274167 (CHEMBL4127661) Show SMILES S=C(NC1C2CC3CC(C2)CC1C3)Nc1ccccc1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(59.84,-37.47,;59.82,-35.93,;58.48,-35.17,;57.15,-35.96,;57.13,-37.49,;55.73,-37.84,;54.4,-37.35,;53.2,-38.63,;54.7,-38.21,;56.13,-38.78,;54.7,-36.62,;55.74,-35.38,;54.39,-35.86,;61.15,-35.14,;62.49,-35.9,;62.5,-37.44,;63.84,-38.19,;65.17,-37.41,;65.15,-35.86,;63.8,-35.11,)| Show InChI InChI=1S/C17H22N2S/c20-17(18-15-4-2-1-3-5-15)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16H,6-10H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of rat sEH using CMNPC as substrate preincubated for 5 mins followed by substrate addition measured for 10 mins by fluorescent based assay				Bioorg Med Chem Lett 28: 2302-2313 (2018) Article DOI: 10.1016/j.bmcl.2018.05.024 BindingDB Entry DOI: 10.7270/Q2222X8F
					More data for this Ligand-Target Pair
Epoxide hydratase (Mus musculus (Mouse))	BDBM50274167 (CHEMBL4127661) Show SMILES S=C(NC1C2CC3CC(C2)CC1C3)Nc1ccccc1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(59.84,-37.47,;59.82,-35.93,;58.48,-35.17,;57.15,-35.96,;57.13,-37.49,;55.73,-37.84,;54.4,-37.35,;53.2,-38.63,;54.7,-38.21,;56.13,-38.78,;54.7,-36.62,;55.74,-35.38,;54.39,-35.86,;61.15,-35.14,;62.49,-35.9,;62.5,-37.44,;63.84,-38.19,;65.17,-37.41,;65.15,-35.86,;63.8,-35.11,)| Show InChI InChI=1S/C17H22N2S/c20-17(18-15-4-2-1-3-5-15)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16H,6-10H2,(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	408	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of recombinant mouse sEH expressed in baculovirus expression system using CMNPC as substrate preincubated for 5 mins followed by substrate...				Bioorg Med Chem Lett 28: 2302-2313 (2018) Article DOI: 10.1016/j.bmcl.2018.05.024 BindingDB Entry DOI: 10.7270/Q2222X8F
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50274167 (CHEMBL4127661) Show SMILES S=C(NC1C2CC3CC(C2)CC1C3)Nc1ccccc1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:3:4:7:10.11.12,3:11:7:5.9.4,2:3:7.8.10:12,(59.84,-37.47,;59.82,-35.93,;58.48,-35.17,;57.15,-35.96,;57.13,-37.49,;55.73,-37.84,;54.4,-37.35,;53.2,-38.63,;54.7,-38.21,;56.13,-38.78,;54.7,-36.62,;55.74,-35.38,;54.39,-35.86,;61.15,-35.14,;62.49,-35.9,;62.5,-37.44,;63.84,-38.19,;65.17,-37.41,;65.15,-35.86,;63.8,-35.11,)| Show InChI InChI=1S/C17H22N2S/c20-17(18-15-4-2-1-3-5-15)19-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16H,6-10H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH expressed in baculovirus expression system using CMNPC as substrate preincubated for 5 mins followed by substrate...				Bioorg Med Chem Lett 28: 2302-2313 (2018) Article DOI: 10.1016/j.bmcl.2018.05.024 BindingDB Entry DOI: 10.7270/Q2222X8F
					More data for this Ligand-Target Pair