Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 406.4 BDBM50511340

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50511340 (CHEMBL4471473) Show SMILES Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2)cc1 Show InChI InChI=1S/C23H19FN2O2S/c24-18-9-5-16(6-10-18)13-14-25-22(27)15-17-7-11-19(12-8-17)28-23-26-20-3-1-2-4-21(20)29-23/h1-12H,13-15H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of full length human soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as ...				ACS Med Chem Lett 11: 298-302 (2020) Article DOI: 10.1021/acsmedchemlett.9b00330 BindingDB Entry DOI: 10.7270/Q2M3303Q
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50511340 (CHEMBL4471473) Show SMILES Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4ccccc4s3)cc2)cc1 Show InChI InChI=1S/C23H19FN2O2S/c24-18-9-5-16(6-10-18)13-14-25-22(27)15-17-7-11-19(12-8-17)28-23-26-20-3-1-2-4-21(20)29-23/h1-12H,13-15H2,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of (His)6 tagged human recombinant LTA4H expressed in Escherichia coli BL21(DE3) using non-fluorescent L-arginine-7-amino-4-methylcoumarin...				ACS Med Chem Lett 11: 298-302 (2020) Article DOI: 10.1021/acsmedchemlett.9b00330 BindingDB Entry DOI: 10.7270/Q2M3303Q
					More data for this Ligand-Target Pair