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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ferrochelatase R115L (FECH)' and Ligand = 'BDBM50331094'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Ferrochelatase R115L (FECH)


(Homo sapiens (Human))
BDBM50331094
PNG
(4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 3.10E+3n/an/an/an/an/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
More data for this
Ligand-Target Pair