Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 392.7 BDBM50575489

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

Found 3 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))	BDBM50575489 (CHEMBL4871711) Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	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))	BDBM50575489 (CHEMBL4871711) Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	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 15 mins follow...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01955 BindingDB Entry DOI: 10.7270/Q2B85CZG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50575489 (CHEMBL4871711) Show SMILES N[C@H](CC(O)=O)Cn1nnc(n1)-c1ccc(Oc2ncc(Cl)cc2F)cc1 |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
TBA					Assay Description Displacement of [3H]WIN35428 from recombinant human dopamine transporter by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01955 BindingDB Entry DOI: 10.7270/Q2B85CZG
					More data for this Ligand-Target Pair