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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 1' and Ligand = 'BDBM50444989'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
C-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50444989
PNG
(CHEMBL3099960)
Show SMILES CNC(=O)Nc1ccc(OC)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1 |r|
Show InChI InChI=1S/C24H30FN3O5/c1-26-23(30)27-20-5-4-19(31-2)12-22(20)32-15-18(29)14-28-9-7-24(8-10-28)13-16-11-17(25)3-6-21(16)33-24/h3-6,11-12,18,29H,7-10,13-15H2,1-2H3,(H2,26,27,30)/t18-/m0/s1
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PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP-1alpha from human recombinant CCR1 expressed in HEK293 cell membranes after 1.5 hrs by microbeta counting analysis

Bioorg Med Chem Lett 24: 108-12 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.062
BindingDB Entry DOI: 10.7270/Q28K7BJX
More data for this
Ligand-Target Pair