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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 = 'BDBM50203003'   
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))
BDBM50203003
PNG
(4-(2-(2-bromophenylamino)-3,4-dioxocyclobut-1-enyl...)
Show SMILES Oc1cc(ccc1Nc1c(Nc2ccccc2Br)c(=O)c1=O)C#N
Show InChI InChI=1S/C17H10BrN3O3/c18-10-3-1-2-4-11(10)20-14-15(17(24)16(14)23)21-12-6-5-9(8-19)7-13(12)22/h1-7,20-22H
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PC cid
PC sid
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50203003
PNG
(4-(2-(2-bromophenylamino)-3,4-dioxocyclobut-1-enyl...)
Show SMILES Oc1cc(ccc1Nc1c(Nc2ccccc2Br)c(=O)c1=O)C#N
Show InChI InChI=1S/C17H10BrN3O3/c18-10-3-1-2-4-11(10)20-14-15(17(24)16(14)23)21-12-6-5-9(8-19)7-13(12)22/h1-7,20-22H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in CHO cells


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair