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SMILES: COc1ccccc1C(CNC(=O)c1cc(on1)-c1ccc(Br)cc1)N1CCC(C)CC1

InChI Key: InChIKey=KXJLNPLYEOWYLU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50434064   
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
Atypical chemokine receptor 3


(Homo sapiens (Human))		BDBM50434064
PNG
(CHEMBL2381332)
Show SMILES COc1ccccc1C(CNC(=O)c1cc(on1)-c1ccc(Br)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C25H28BrN3O3/c1-17-11-13-29(14-12-17)22(20-5-3-4-6-23(20)31-2)16-27-25(30)21-15-24(32-28-21)18-7-9-19(26)10-8-18/h3-10,15,17,22H,11-14,16H2,1-2H3,(H,27,30)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.87E+3n/an/an/an/an/an/a



PharmaDesign Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR7 (unknown origin) expressed in CHO cells after 1 hr by TopCount scintillation counting analysis

J Med Chem 56: 4236-51 (2013)


Article DOI: 10.1021/jm400307y
BindingDB Entry DOI: 10.7270/Q2W66N54
More data for this
Ligand-Target Pair