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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2' and Ligand = 'BDBM150965'   
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
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150965
PNG
(US8981106, 154 | USRE47267, Compound 154)
Show SMILES CN(C(=O)c1ccc(SCc2ccccc2B(O)O)nc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H18BFN2O3S/c1-24(17-9-7-16(22)8-10-17)20(25)14-6-11-19(23-12-14)28-13-15-4-2-3-5-18(15)21(26)27/h2-12,26-27H,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



Syntrix Biosystems, Inc.

US Patent


Assay Description
The assay is a Ca2+ mobilization assay that measures changes in intracellular Ca2+ with a FlexStation II scanning fluorometer using a FLIPR-3 Calcium...


US Patent USRE47267 (2019)


BindingDB Entry DOI: 10.7270/Q2GF0WSH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150965
PNG
(US8981106, 154 | USRE47267, Compound 154)
Show SMILES CN(C(=O)c1ccc(SCc2ccccc2B(O)O)nc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H18BFN2O3S/c1-24(17-9-7-16(22)8-10-17)20(25)14-6-11-19(23-12-14)28-13-15-4-2-3-5-18(15)21(26)27/h2-12,26-27H,13H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>5.00E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair