Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 485.5 BDBM50251840

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
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50251840 (CHEMBL481110 | endo-4-((3-(4-(benzo[d]thiazol-2-yl...) Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3nc4ccccc4s3)cc2)cc1 |r,THB:7:8:15.14.13:10.11| Show InChI InChI=1S/C28H27N3O3S/c32-27(33)19-7-5-18(6-8-19)17-31-22-11-12-23(31)16-21(15-22)29-20-9-13-24(14-10-20)34-28-30-25-3-1-2-4-26(25)35-28/h1-10,13-14,21-23,29H,11-12,15-17H2,(H,32,33)/t21-,22+,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase (unknown origin)				Bioorg Med Chem Lett 18: 3895-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.041 BindingDB Entry DOI: 10.7270/Q2GQ6XK8
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50251840 (CHEMBL481110 | endo-4-((3-(4-(benzo[d]thiazol-2-yl...) Show SMILES OC(=O)c1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2ccc(Oc3nc4ccccc4s3)cc2)cc1 |r,THB:7:8:15.14.13:10.11| Show InChI InChI=1S/C28H27N3O3S/c32-27(33)19-7-5-18(6-8-19)17-31-22-11-12-23(31)16-21(15-22)29-20-9-13-24(14-10-20)34-28-30-25-3-1-2-4-26(25)35-28/h1-10,13-14,21-23,29H,11-12,15-17H2,(H,32,33)/t21-,22+,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Inhibition of LTA4 hydrolase in human whole blood				Bioorg Med Chem Lett 18: 3895-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.041 BindingDB Entry DOI: 10.7270/Q2GQ6XK8
					More data for this Ligand-Target Pair