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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 = 'BDBM50236304'   
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))
BDBM50236304
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(Br)cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H19BrFN3O3S/c24-16-8-11-21-20(14-16)19(22(27-21)15-6-9-17(25)10-7-15)12-13-26-23(29)28-32(30,31)18-4-2-1-3-5-18/h1-11,14,27H,12-13H2,(H2,26,28,29)
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PC cid
PC sid
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Article
PubMed
n/an/a 4n/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))
BDBM50236304
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(Br)cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H19BrFN3O3S/c24-16-8-11-21-20(14-16)19(22(27-21)15-6-9-17(25)10-7-15)12-13-26-23(29)28-32(30,31)18-4-2-1-3-5-18/h1-11,14,27H,12-13H2,(H2,26,28,29)
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PC sid
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Article
PubMed
n/an/a 120n/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)
BDBM50236304
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(Br)cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H19BrFN3O3S/c24-16-8-11-21-20(14-16)19(22(27-21)15-6-9-17(25)10-7-15)12-13-26-23(29)28-32(30,31)18-4-2-1-3-5-18/h1-11,14,27H,12-13H2,(H2,26,28,29)
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.70E+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