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SMILES: CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O

InChI Key: InChIKey=ASZWYQVBOPYKRO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50182256   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50182256
PNG
(CHEMBL3819542)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C18H19Cl3N4O4S/c1-24-7-9-25(10-8-24)30(28,29)17-12(20)5-6-14(16(17)26)23-18(27)22-13-4-2-3-11(19)15(13)21/h2-6,26H,7-10H2,1H3,(H2,22,23,27)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+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
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50182256
PNG
(CHEMBL3819542)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C18H19Cl3N4O4S/c1-24-7-9-25(10-8-24)30(28,29)17-12(20)5-6-14(16(17)26)23-18(27)22-13-4-2-3-11(19)15(13)21/h2-6,26H,7-10H2,1H3,(H2,22,23,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.794n/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