BindingDB logo
myBDB logout

BDBM150841 US8981106, 30

SMILES: Fc1ccc(NC(=O)c2ccc(SCc3ccccc3-c3cccs3)nc2)cc1

InChI Key: InChIKey=GULCWQZYOKXPPZ-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 = 150841   
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))
BDBM150841
PNG
(US8981106, 30)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3-c3cccs3)nc2)cc1
Show InChI InChI=1S/C23H17FN2OS2/c24-18-8-10-19(11-9-18)26-23(27)16-7-12-22(25-14-16)29-15-17-4-1-2-5-20(17)21-6-3-13-28-21/h1-14H,15H2,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+3n/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))
BDBM150841
PNG
(US8981106, 30)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3-c3cccs3)nc2)cc1
Show InChI InChI=1S/C23H17FN2OS2/c24-18-8-10-19(11-9-18)26-23(27)16-7-12-22(25-14-16)29-15-17-4-1-2-5-20(17)21-6-3-13-28-21/h1-14H,15H2,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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