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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 = 'BDBM50182258'   
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))
BDBM50182258
PNG
(CHEMBL3819382)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H21Cl2FN4O4S/c1-2-25-8-10-26(11-9-25)31(29,30)18-12(20)6-7-15(17(18)27)24-19(28)23-14-5-3-4-13(22)16(14)21/h3-7,27H,2,8-11H2,1H3,(H2,23,24,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant Gal4-VP16 fused-CXCR2 assessed as inhibition of CXCL1-mediated lactamase reporter gene expression after over...


ACS Med Chem Lett 7: 397-402 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00489
BindingDB Entry DOI: 10.7270/Q2KW5HZH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50182258
PNG
(CHEMBL3819382)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O
Show InChI InChI=1S/C19H21Cl2FN4O4S/c1-2-25-8-10-26(11-9-25)31(29,30)18-12(20)6-7-15(17(18)27)24-19(28)23-14-5-3-4-13(22)16(14)21/h3-7,27H,2,8-11H2,1H3,(H2,23,24,28)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CXCR2 assessed as inhibition of CXCL1-induced neutrophil chemotaxis after 45 mins by calcein-AM dye based pl...


ACS Med Chem Lett 7: 397-402 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00489
BindingDB Entry DOI: 10.7270/Q2KW5HZH
More data for this
Ligand-Target Pair