BDBM50511338 CHEMBL4537609

SMILES: Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4cc(F)ccc4s3)cc2F)cc1

InChI Key: InChIKey=NXZPSJPTZRRXRZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50511338   

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))	BDBM50511338 (CHEMBL4537609) Show SMILES Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4cc(F)ccc4s3)cc2F)cc1 Show InChI InChI=1S/C23H17F3N2O2S/c24-16-4-1-14(2-5-16)9-10-27-22(29)11-15-3-7-18(13-19(15)26)30-23-28-20-12-17(25)6-8-21(20)31-23/h1-8,12-13H,9-11H2,(H,27,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.25E+4	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
					More data for this Ligand-Target Pair
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50511338 (CHEMBL4537609) Show SMILES Fc1ccc(CCNC(=O)Cc2ccc(Oc3nc4cc(F)ccc4s3)cc2F)cc1 Show InChI InChI=1S/C23H17F3N2O2S/c24-16-4-1-14(2-5-16)9-10-27-22(29)11-15-3-7-18(13-19(15)26)30-23-28-20-12-17(25)6-8-21(20)31-23/h1-8,12-13H,9-11H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	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
					More data for this Ligand-Target Pair