Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Leukotriene C4 synthase' and Ligand = 'BDBM50519583'   

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 C4 synthase (Homo sapiens (Human))	BDBM50519583 (CHEMBL4440468) Show SMILES COc1cc(cnc1C(=O)c1cccc(c1)C(O)=O)N(CC1CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H21ClN2O4/c1-31-21-12-20(27(14-15-5-6-15)19-9-7-18(25)8-10-19)13-26-22(21)23(28)16-3-2-4-17(11-16)24(29)30/h2-4,7-13,15H,5-6,14H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair
Leukotriene C4 synthase (Homo sapiens (Human))	BDBM50519583 (CHEMBL4440468) Show SMILES COc1cc(cnc1C(=O)c1cccc(c1)C(O)=O)N(CC1CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H21ClN2O4/c1-31-21-12-20(27(14-15-5-6-15)19-9-7-18(25)8-10-19)13-26-22(21)23(28)16-3-2-4-17(11-16)24(29)30/h2-4,7-13,15H,5-6,14H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Orexo AB Curated by ChEMBL					Assay Description Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...				J Med Chem 62: 7769-7787 (2019) Article DOI: 10.1021/acs.jmedchem.9b00555 BindingDB Entry DOI: 10.7270/Q2WS8XMW
					More data for this Ligand-Target Pair