Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ferrochelatase, mitochondrial [R115L]' and Ligand = 'BDBM60665'   

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
Ferrochelatase, mitochondrial [R115L] (Homo sapiens (Human))	BDBM60665 (BDBM50249542 | US9145414, R406 | US9212178, R406) Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a
Technical University of Munich					Assay Description Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...				ACS Chem Biol 11: 1245-54 (2016) Article DOI: 10.1021/acschembio.5b01063 BindingDB Entry DOI: 10.7270/Q2FB51R8
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