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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'flemming' and Initial = 'r'   
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
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM92786
PNG
(Di-N-desethylaminodarone)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[NH3+])c(I)c1
Show InChI InChI=1S/C21H21I2NO3/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3/p+1
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PC cid
PC sid
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Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



University of Wisconsin



Assay Description
IC50 values of aminodarone analogues using JARID1A PHD3.


Biochemistry 51: 8293-306 (2012)


Article DOI: 10.1021/bi3009278
BindingDB Entry DOI: 10.7270/Q2028Q4T
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM92787
PNG
(WAG-003)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCC[N+](C)(C)C)c(I)c1
Show InChI InChI=1S/C24H28I2NO3/c1-5-6-10-21-22(17-9-7-8-11-20(17)30-21)23(28)16-14-18(25)24(19(26)15-16)29-13-12-27(2,3)4/h7-9,11,14-15H,5-6,10,12-13H2,1-4H3/q+1
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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of Wisconsin



Assay Description
IC50 values of aminodarone analogues using JARID1A PHD3.


Biochemistry 51: 8293-306 (2012)


Article DOI: 10.1021/bi3009278
BindingDB Entry DOI: 10.7270/Q2028Q4T
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5A


(Homo sapiens (Human))
BDBM92788
PNG
(WAG-005)
Show SMILES CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCC[N+](C)(C)C)c(I)c1
Show InChI InChI=1S/C25H30I2NO3/c1-5-6-11-22-23(18-10-7-8-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-9-13-28(2,3)4/h7-8,10,12,15-16H,5-6,9,11,13-14H2,1-4H3/q+1
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Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



University of Wisconsin



Assay Description
IC50 values of aminodarone analogues using JARID1A PHD3.


Biochemistry 51: 8293-306 (2012)


Article DOI: 10.1021/bi3009278
BindingDB Entry DOI: 10.7270/Q2028Q4T
More data for this
Ligand-Target Pair