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BDBM50297752 (R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1-enylamino)-2-hydroxy-N-methylbenzamide::CHEMBL563467

SMILES: CC[C@@H](Nc1c(Nc2cccc(C(=O)NC)c2O)c(=O)c1=O)c1ccccc1

InChI Key: InChIKey=DWDQZBCRZBLUKE-CQSZACIVSA-N

Data: 1 KI

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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 1 hit for monomerid = 50297752   
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))
BDBM50297752
PNG
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)NC)c2O)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H21N3O4/c1-3-14(12-8-5-4-6-9-12)23-16-17(20(27)19(16)26)24-15-11-7-10-13(18(15)25)21(28)22-2/h4-11,14,23-25H,3H2,1-2H3,(H,22,28)/t14-/m1/s1
PDB

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Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of human [125I]IL-8 from human CXCR2


Bioorg Med Chem Lett 19: 4446-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X
More data for this
Ligand-Target Pair