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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5B' and Ligand = 'BDBM320452'   
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))
BDBM320452
PNG
(2-[4-chloro-3-(cyclopropyl- methoxy)benzyl]-1H-pyr...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(OCC4CC4)c3)[nH]c12
Show InChI InChI=1S/C19H17ClN2O3/c20-15-4-3-12(8-17(15)25-10-11-1-2-11)7-13-9-16-18(22-13)14(19(23)24)5-6-21-16/h3-6,8-9,11,22H,1-2,7,10H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Celgene Quantical Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US9738637 (2017)

More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM320452
PNG
(2-[4-chloro-3-(cyclopropyl- methoxy)benzyl]-1H-pyr...)
Show SMILES OC(=O)c1ccnc2cc(Cc3ccc(Cl)c(OCC4CC4)c3)[nH]c12
Show InChI InChI=1S/C19H17ClN2O3/c20-15-4-3-12(8-17(15)25-10-11-1-2-11)7-13-9-16-18(22-13)14(19(23)24)5-6-21-16/h3-6,8-9,11,22H,1-2,7,10H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...


US Patent US10174026 (2019)

More data for this
Ligand-Target Pair