BDBM50274234 CHEMBL4126127

SMILES: S=C(NCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=GCVSKAUZWGVCQQ-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 = 50274234   

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)	BDBM50274234 (CHEMBL4126127) Show SMILES S=C(NCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,9:10:13:17.16.15,THB:29:21:24:28.27.26,29:27:24:30.22.21,11:10:13.12.17:15,11:12:15:19.10.18,18:10:13:17.16.15,18:16:13:19.10.11,22:23:26:30.21.29,22:21:24.23.28:26| Show InChI InChI=1S/C25H40N4S2/c30-22(28-24-10-16-4-17(11-24)6-18(5-16)12-24)26-2-1-3-27-23(31)29-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,1-15H2,(H2,26,28,30)(H2,27,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	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
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50274234 (CHEMBL4126127) Show SMILES S=C(NCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,9:10:13:17.16.15,THB:29:21:24:28.27.26,29:27:24:30.22.21,11:10:13.12.17:15,11:12:15:19.10.18,18:10:13:17.16.15,18:16:13:19.10.11,22:23:26:30.21.29,22:21:24.23.28:26| Show InChI InChI=1S/C25H40N4S2/c30-22(28-24-10-16-4-17(11-24)6-18(5-16)12-24)26-2-1-3-27-23(31)29-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,1-15H2,(H2,26,28,30)(H2,27,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	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
Epoxide hydratase (Mus musculus (Mouse))	BDBM50274234 (CHEMBL4126127) Show SMILES S=C(NCCCNC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.27.26,9:10:13:17.16.15,THB:29:21:24:28.27.26,29:27:24:30.22.21,11:10:13.12.17:15,11:12:15:19.10.18,18:10:13:17.16.15,18:16:13:19.10.11,22:23:26:30.21.29,22:21:24.23.28:26| Show InChI InChI=1S/C25H40N4S2/c30-22(28-24-10-16-4-17(11-24)6-18(5-16)12-24)26-2-1-3-27-23(31)29-25-13-19-7-20(14-25)9-21(8-19)15-25/h16-21H,1-15H2,(H2,26,28,30)(H2,27,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	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