BDBM50541953 CHEMBL4644372

SMILES: O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCN(Cc2cccs2)CC1

InChI Key: InChIKey=AUCUDIHVOWJNEE-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 = 50541953   

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
Leukotriene A4 hydrolase (Homo sapiens (Human))	BDBM50541953 (CHEMBL4644372) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCN(Cc2cccs2)CC1 Show InChI InChI=1S/C27H32N2O2S/c30-27(28-19-23-14-16-29(17-15-23)20-26-7-4-18-32-26)13-10-22-8-11-25(12-9-22)31-21-24-5-2-1-3-6-24/h1-9,11-12,18,23H,10,13-17,19-21H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His6-tagged LTA4H expressed in Escherichia coli BL21 DE3 cells assessed as reduction in amino-...				ACS Med Chem Lett 11: 1244-1249 (2020)
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50541953 (CHEMBL4644372) Show SMILES O=C(CCc1ccc(OCc2ccccc2)cc1)NCC1CCN(Cc2cccs2)CC1 Show InChI InChI=1S/C27H32N2O2S/c30-27(28-19-23-14-16-29(17-15-23)20-26-7-4-18-32-26)13-10-22-8-11-25(12-9-22)31-21-24-5-2-1-3-6-24/h1-9,11-12,18,23H,10,13-17,19-21H2,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length sEH (1 to 555 residues) expressed in Escherichia coli BL21 DE3 cells assessed as reduction in 6-methoxyna...				ACS Med Chem Lett 11: 1244-1249 (2020)
					More data for this Ligand-Target Pair