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BDBM50182266 CHEMBL3818984

SMILES: Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCC1

InChI Key: InChIKey=OQJKJOAFUUBDIY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50182266   
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))
BDBM50182266
PNG
(CHEMBL3818984)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCC1
Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-10-7-8-13(15(23)16(10)27(25,26)9-3-1-4-9)22-17(24)21-12-6-2-5-11(20)14(12)19/h2,5-9,23H,1,3-4H2,(H2,21,22,24)
PDB

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/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)


BindingDB Entry DOI: 10.7270/Q2KW5HZH
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50182266
PNG
(CHEMBL3818984)
Show SMILES Oc1c(NC(=O)Nc2cccc(F)c2Cl)ccc(Cl)c1S(=O)(=O)C1CCC1
Show InChI InChI=1S/C17H15Cl2FN2O4S/c18-10-7-8-13(15(23)16(10)27(25,26)9-3-1-4-9)22-17(24)21-12-6-2-5-11(20)14(12)19/h2,5-9,23H,1,3-4H2,(H2,21,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.316n/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)


BindingDB Entry DOI: 10.7270/Q2KW5HZH
More data for this
Ligand-Target Pair