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BDBM71388 2-[(9,10-diketo-2-anthryl)sulfonylamino]acetic acid::2-[(9,10-dioxo-2-anthracenyl)sulfonylamino]acetic acid::2-[(9,10-dioxoanthracen-2-yl)sulfonylamino]acetic acid::2-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylamino]ethanoic acid::MLS001195924::N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfonyl]glycine::SMR000558754::cid_7122777

SMILES: OC(=O)CNS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1

InChI Key: InChIKey=DURRDEYKNKAQFB-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 71388   
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
Chemokine CXCL12


(Homo sapiens (Human))
BDBM71388
PNG
(2-[(9,10-diketo-2-anthryl)sulfonylamino]acetic aci...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C16H11NO6S/c18-14(19)8-17-24(22,23)9-5-6-12-13(7-9)16(21)11-4-2-1-3-10(11)15(12)20/h1-7,17H,8H2,(H,18,19)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.20E+6n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to His6-SUMO fusion tagged wild type human [U-15N]CXCL12 expressed in Escherichia coli by 2D 1H-15N HMQC NMR spectroscopy


J Med Chem 59: 4342-51 (2016)


BindingDB Entry DOI: 10.7270/Q2DB83SC
More data for this
Ligand-Target Pair
MSRA protein


(Bos taurus)
BDBM71388
PNG
(2-[(9,10-diketo-2-anthryl)sulfonylamino]acetic aci...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C16H11NO6S/c18-14(19)8-17-24(22,23)9-5-6-12-13(7-9)16(21)11-4-2-1-3-10(11)15(12)20/h1-7,17H,8H2,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.55E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair