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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2' and Ligand = 'BDBM50236296'   
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))
BDBM50236296
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
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PC cid
PC sid
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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CXCR2 by calcium flux FLIPR assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
BindingDB Entry DOI: 10.7270/Q20P10V3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50236296
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
BindingDB Entry DOI: 10.7270/Q20P10V3
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236296
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
BindingDB Entry DOI: 10.7270/Q20P10V3
More data for this
Ligand-Target Pair