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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5B' and Ligand = 'BDBM50481824'   
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 5B


(Homo sapiens (Human))
BDBM50481824
PNG
(CHEMBL5276370)
Show SMILES NS(=O)(=O)C1C=CC(NC(=O)CCN2CCC(Cc3ccccc3)CC2)C=C1 |c:5,28,(25.78,-18.17,;25.01,-16.84,;24.6,-15.34,;26.49,-16.43,;23.47,-16.83,;22.7,-18.16,;21.16,-18.16,;20.39,-16.83,;18.85,-16.84,;18.08,-15.5,;18.85,-14.17,;16.54,-15.51,;15.77,-14.17,;14.23,-14.18,;13.47,-12.84,;11.93,-12.84,;11.16,-14.17,;9.62,-14.17,;8.84,-15.5,;7.31,-15.49,;6.53,-16.82,;7.3,-18.16,;8.85,-18.16,;9.61,-16.82,;11.93,-15.51,;13.47,-15.51,;21.16,-15.5,;22.7,-15.5,)|
Show InChI InChI=1S/C21H29N3O3S/c22-28(26,27)20-8-6-19(7-9-20)23-21(25)12-15-24-13-10-18(11-14-24)16-17-4-2-1-3-5-17/h1-9,18-20H,10-16H2,(H,23,25)(H2,22,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 184n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair