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SMILES: CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cncn1

InChI Key: InChIKey=KDRSWVUHGUCIIW-SFHVURJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50184520   
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))		BDBM50184520
PNG
((2S)-2-(6-butyl-2-(1H-1,2,4-triazol-1-yl)pyrimidin...)
Show SMILES CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(n1)-n1cncn1
Show InChI InChI=1S/C21H35N7O2/c1-5-7-9-17-13-19(27-21(25-17)28-15-22-14-24-28)26-18(12-16(3)4)20(29)23-10-8-11-30-6-2/h13-16,18H,5-12H2,1-4H3,(H,23,29)(H,25,26,27)/t18-/m0/s1
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PC cid
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UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human CXCR2 receptor transfected in CHO cell

Bioorg Med Chem Lett 16: 2724-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.028
BindingDB Entry DOI: 10.7270/Q2KK9BBS
More data for this
Ligand-Target Pair