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BDBM50306580 (R)-3-(4-(4-bromophenylsulfonyloxy)phenyl)-2-(carboxyformamido)propanoic acid::CHEMBL602503

SMILES: OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)NC(=O)C(O)=O

InChI Key: InChIKey=RSQROISKTQNLFB-CQSZACIVSA-N

Data: 3 IC50

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 3 hits for monomerid = 50306580   
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 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306580
PNG
((R)-3-(4-(4-bromophenylsulfonyloxy)phenyl)-2-(carb...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)NC(=O)C(O)=O |r|
Show InChI InChI=1S/C17H14BrNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JMJD2A by MALDI-TOF assay


J Med Chem 53: 1810-8 (2010)


Article DOI: 10.1021/jm901680b
BindingDB Entry DOI: 10.7270/Q2959HPQ
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A (KDM4A)


(Homo sapiens (Human))
BDBM50306580
PNG
((R)-3-(4-(4-bromophenylsulfonyloxy)phenyl)-2-(carb...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)NC(=O)C(O)=O |r|
Show InChI InChI=1S/C17H14BrNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM4A


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Histone Lysine Demethylase


(Homo sapiens (Human))
BDBM50306580
PNG
((R)-3-(4-(4-bromophenylsulfonyloxy)phenyl)-2-(carb...)
Show SMILES OC(=O)[C@@H](Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)NC(=O)C(O)=O |r|
Show InChI InChI=1S/C17H14BrNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to JMJD2E


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair