Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 389.8 BDBM50303649Purchase

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

Found 6 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))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human LTA4H hydrolysis assessed as inhibition of Ca2+ ionophore-stimulated LTB4 formation in human whole blood by ELISA				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant LTA4H hydrolysis assessed as inhibition of LTB4 formation by LC-MS/MS				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant full length N-terminal His6-tagged LTA4H (unknown origin) expressed in Escherichia coli BL21 DE3 cells at enzyme concentrat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01955 BindingDB Entry DOI: 10.7270/Q2B85CZG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LTA4H in human PBMC assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed by ion...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01955 BindingDB Entry DOI: 10.7270/Q2B85CZG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of LTA4H in human whole blood assessed as reduction of calcium ionophore A23187-stimulated LTB4 generation preincubated for 4 hrs followed...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01955 BindingDB Entry DOI: 10.7270/Q2B85CZG
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM50303649 (4-{(S)-2-[4-(4-Chlorophenoxy)phenoxymethyl]pyrroli...) Show SMILES OC(=O)CCCN1CCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C21H24ClNO4/c22-16-5-7-19(8-6-16)27-20-11-9-18(10-12-20)26-15-17-3-1-13-23(17)14-2-4-21(24)25/h5-12,17H,1-4,13-15H2,(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
deCODE Chemistry, Inc. Curated by ChEMBL					Assay Description Binding affinity to human recombinant LTA4H by isothermal calorimetry				J Med Chem 53: 573-85 (2010) Checked by Author Article DOI: 10.1021/jm900838g BindingDB Entry DOI: 10.7270/Q22F7NJD
					More data for this Ligand-Target Pair