Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene C4 synthase' and Ligand = 'BDBM309974'   

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))	BDBM309974 (US9657001, 3) Show SMILES COc1cc(cnc1C(=O)C1CC1C(O)=O)N(CC1(CC1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H20ClF3N2O4/c1-32-17-8-14(10-27-18(17)19(29)15-9-16(15)20(30)31)28(13-4-2-12(23)3-5-13)11-21(6-7-21)22(24,25)26/h2-5,8,10,15-16H,6-7,9,11H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester.In order to obtain IC50-va...				US Patent US9657001 (2017) BindingDB Entry DOI: 10.7270/Q2SJ1NPG
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