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SMILES: CN(c1ccc(cc1)C#C)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCOc2c1

InChI Key: InChIKey=LRXZHFZYUNXDDK-SFHVURJKSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 293784   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM293784
PNG
(3-({[(4R)-7-[(4-ethynylphenyl)(methyl)amino]-3,4-d...)
Show SMILES CN(c1ccc(cc1)C#C)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCOc2c1 |r|
Show InChI InChI=1S/C25H23N3O3/c1-3-17-4-6-19(7-5-17)28(2)20-8-9-21-18(11-13-31-24(21)14-20)15-27-23-16-26-12-10-22(23)25(29)30/h1,4-10,12,14,16,18,27H,11,13,15H2,2H3,(H,29,30)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of JMJD3 activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test com...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM293784
PNG
(3-({[(4R)-7-[(4-ethynylphenyl)(methyl)amino]-3,4-d...)
Show SMILES CN(c1ccc(cc1)C#C)c1ccc2[C@H](CNc3cnccc3C(O)=O)CCOc2c1 |r|
Show InChI InChI=1S/C25H23N3O3/c1-3-17-4-6-19(7-5-17)28(2)20-8-9-21-18(11-13-31-24(21)14-20)15-27-23-16-26-12-10-22(23)25(29)30/h1,4-10,12,14,16,18,27H,11,13,15H2,2H3,(H,29,30)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...


US Patent US10106534 (2018)


BindingDB Entry DOI: 10.7270/Q2JW8GZX
More data for this
Ligand-Target Pair