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BDBM50200883 (S)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1-enylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL219347

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

InChI Key: InChIKey=ILEJORXRDPNPIM-HNNXBMFYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 50200883   
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))
BDBM50200883
PNG
((S)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)
Show SMILES CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m0/s1
PDB

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Similars

Article
PubMed
n/an/a 234n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair