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BDBM50182260 CHEMBL3819013

SMILES: C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O

InChI Key: InChIKey=OLLOVPYJXBHDTQ-PHIMTYICSA-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 = 50182260   
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))
BDBM50182260
PNG
(CHEMBL3819013)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r|
Show InChI InChI=1S/C19H20Cl2FN3O5S/c1-10-8-25(9-11(2)30-10)31(28,29)18-12(20)6-7-15(17(18)26)24-19(27)23-14-5-3-4-13(22)16(14)21/h3-7,10-11,26H,8-9H2,1-2H3,(H2,23,24,27)/t10-,11+
PDB

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UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.16E+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)


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


(Homo sapiens (Human))
BDBM50182260
PNG
(CHEMBL3819013)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2cccc(F)c2Cl)c1O |r|
Show InChI InChI=1S/C19H20Cl2FN3O5S/c1-10-8-25(9-11(2)30-10)31(28,29)18-12(20)6-7-15(17(18)26)24-19(27)23-14-5-3-4-13(22)16(14)21/h3-7,10-11,26H,8-9H2,1-2H3,(H2,23,24,27)/t10-,11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/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