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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 = 'BDBM50302105'   
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))
BDBM50302105
PNG
(3-(2-(2-ethyl-2-(4-fluorobenzyl)hydrazinyl)-3,4-di...)
Show SMILES CCN(Cc1ccc(F)cc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C22H23FN4O4/c1-4-27(12-13-8-10-14(23)11-9-13)25-18-17(20(29)21(18)30)24-16-7-5-6-15(19(16)28)22(31)26(2)3/h5-11,24-25,28H,4,12H2,1-3H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
7.20E+3n/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))
BDBM50302105
PNG
(3-(2-(2-ethyl-2-(4-fluorobenzyl)hydrazinyl)-3,4-di...)
Show SMILES CCN(Cc1ccc(F)cc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C22H23FN4O4/c1-4-27(12-13-8-10-14(23)11-9-13)25-18-17(20(29)21(18)30)24-16-7-5-6-15(19(16)28)22(31)26(2)3/h5-11,24-25,28H,4,12H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.34E+3n/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