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BDBM150893 US8981106, 82

SMILES: CCOP(=O)(CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1)OCC

InChI Key: InChIKey=XMNHEEWHKYYPOZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 150893   
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
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150893
PNG
(US8981106, 82)
Show SMILES CCOP(=O)(CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1)OCC
Show InChI InChI=1S/C17H20FN2O4PS/c1-3-23-25(22,24-4-2)12-26-16-10-5-13(11-19-16)17(21)20-15-8-6-14(18)7-9-15/h5-11H,3-4,12H2,1-2H3,(H,20,21)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150893
PNG
(US8981106, 82)
Show SMILES CCOP(=O)(CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1)OCC
Show InChI InChI=1S/C17H20FN2O4PS/c1-3-23-25(22,24-4-2)12-26-16-10-5-13(11-19-16)17(21)20-15-8-6-14(18)7-9-15/h5-11H,3-4,12H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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