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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 = 'BDBM50302101'   
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))
BDBM50302101
PNG
(3-(2-(2-ethyl-2-phenylhydrazinyl)-3,4-dioxocyclobu...)
Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C21H22N4O4/c1-4-25(13-9-6-5-7-10-13)23-17-16(19(27)20(17)28)22-15-12-8-11-14(18(15)26)21(29)24(2)3/h5-12,22-23,26H,4H2,1-3H3
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PC sid
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Article
PubMed
110n/an/an/an/an/an/an/an/a



WuXi PharmaTech Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human CXCR2 expressed in mouse BaF3 cells by liquid scintillation counting


Bioorg Med Chem Lett 19: 5741-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.014
BindingDB Entry DOI: 10.7270/Q25H7GB8
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50302101
PNG
(3-(2-(2-ethyl-2-phenylhydrazinyl)-3,4-dioxocyclobu...)
Show SMILES CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1
Show InChI InChI=1S/C21H22N4O4/c1-4-25(13-9-6-5-7-10-13)23-17-16(19(27)20(17)28)22-15-12-8-11-14(18(15)26)21(29)24(2)3/h5-12,22-23,26H,4H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



WuXi PharmaTech Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 expressed in CHO cells assessed as inhibition of IL-8-induced chemotaxis


Bioorg Med Chem Lett 19: 5741-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.014
BindingDB Entry DOI: 10.7270/Q25H7GB8
More data for this
Ligand-Target Pair