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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 = 'BDBM185151'   
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))
BDBM185151
PNG
(4-[(5Z)-4-amino-5-(7-methoxyindol-2-ylidene)-1H-im...)
Show SMILES COc1cccc2=C\C(N=c12)=c1\nc(C2CCC(CC2)C(O)=O)n2NC=NC(N)=c12 |c:28,t:6,9,31,(12.9,-6.58,;11.76,-5.55,;10.29,-6.03,;9.98,-7.54,;8.51,-8.02,;7.37,-6.99,;7.68,-5.48,;6.78,-4.24,;7.68,-3,;9.14,-3.47,;9.15,-5,;7.2,-1.54,;8.1,-.3,;7.2,.94,;7.68,2.4,;6.65,3.55,;7.13,5.01,;8.64,5.33,;9.67,4.18,;9.19,2.72,;9.12,6.79,;10.63,7.11,;8.09,7.94,;5.75,.47,;4.41,1.24,;3.08,.47,;3.08,-1.07,;4.41,-1.84,;4.41,-3.38,;5.75,-1.07,)|
Show InChI InChI=1S/C21H22N6O3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29/h2-4,9-12H,5-8,22H2,1H3,(H,23,24)(H,28,29)/b17-14-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.50E+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