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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific demethylase 5B' and Ligand = 'BDBM270505'   
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))
BDBM270505
PNG
(3-{[((1R)-5-{methyl[4-(methylethyl)phenyl]amino}is...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C25H28N4O2/c1-16(2)17-4-6-19(7-5-17)29(3)20-8-9-21-18(12-20)13-27-24(21)15-28-23-14-26-11-10-22(23)25(30)31/h4-12,14,16,24,27-28H,13,15H2,1-3H3,(H,30,31)/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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 US10059687 (2018)


BindingDB Entry DOI: 10.7270/Q2TM7D54
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM270505
PNG
(3-{[((1R)-5-{methyl[4-(methylethyl)phenyl]amino}is...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C25H28N4O2/c1-16(2)17-4-6-19(7-5-17)29(3)20-8-9-21-18(12-20)13-27-24(21)15-28-23-14-26-11-10-22(23)25(30)31/h4-12,14,16,24,27-28H,13,15H2,1-3H3,(H,30,31)/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<100n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RNH
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM270505
PNG
(3-{[((1R)-5-{methyl[4-(methylethyl)phenyl]amino}is...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C25H28N4O2/c1-16(2)17-4-6-19(7-5-17)29(3)20-8-9-21-18(12-20)13-27-24(21)15-28-23-14-26-11-10-22(23)25(30)31/h4-12,14,16,24,27-28H,13,15H2,1-3H3,(H,30,31)/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
Jarid1b: The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction condit...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM270505
PNG
(3-{[((1R)-5-{methyl[4-(methylethyl)phenyl]amino}is...)
Show SMILES CC(C)c1ccc(cc1)N(C)c1ccc2[C@H](CNc3cnccc3C(O)=O)NCc2c1 |r|
Show InChI InChI=1S/C25H28N4O2/c1-16(2)17-4-6-19(7-5-17)29(3)20-8-9-21-18(12-20)13-27-24(21)15-28-23-14-26-11-10-22(23)25(30)31/h4-12,14,16,24,27-28H,13,15H2,1-3H3,(H,30,31)/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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
Jarid1b: The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction condit...


US Patent US11001568 (2021)


BindingDB Entry DOI: 10.7270/Q22V2K7S
More data for this
Ligand-Target Pair