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BDBM293710 3-({[(4S)-7-[(3-fluorophenyl)sulfanyl]-3,4-dihydro-2H-1-::US10106534, Example 52

SMILES: OC(=O)c1ccncc1NC[C@H]1CCOc2cc(Sc3cccc(F)c3)ccc12

InChI Key: InChIKey=MLMKCAMJJOYOSV-CQSZACIVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 293710   
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
jmjd3


(Homo sapiens (Human))
BDBM293710
PNG
(3-({[(4S)-7-[(3-fluorophenyl)sulfanyl]-3,4-dihydro...)
Show SMILES OC(=O)c1ccncc1NC[C@H]1CCOc2cc(Sc3cccc(F)c3)ccc12 |r|
Show InChI InChI=1S/C22H19FN2O3S/c23-15-2-1-3-16(10-15)29-17-4-5-18-14(7-9-28-21(18)11-17)12-25-20-13-24-8-6-19(20)22(26)27/h1-6,8,10-11,13-14,25H,7,9,12H2,(H,26,27)/t14-/m1/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 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))
BDBM293710
PNG
(3-({[(4S)-7-[(3-fluorophenyl)sulfanyl]-3,4-dihydro...)
Show SMILES OC(=O)c1ccncc1NC[C@H]1CCOc2cc(Sc3cccc(F)c3)ccc12 |r|
Show InChI InChI=1S/C22H19FN2O3S/c23-15-2-1-3-16(10-15)29-17-4-5-18-14(7-9-28-21(18)11-17)12-25-20-13-24-8-6-19(20)22(26)27/h1-6,8,10-11,13-14,25H,7,9,12H2,(H,26,27)/t14-/m1/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 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