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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 1' and Ligand = 'BDBM50211462'   
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-X-C chemokine receptor type 1


(Homo sapiens (Human))		BDBM50211462
PNG
((R)-3-(2-(cyclopropyl(4-isopropylfuran-2-yl)methyl...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C1CC1
Show InChI InChI=1S/C24H27N3O5/c1-12(2)14-10-17(32-11-14)18(13-8-9-13)26-20-19(22(29)23(20)30)25-16-7-5-6-15(21(16)28)24(31)27(3)4/h5-7,10-13,18,25-26,28H,8-9H2,1-4H3/t18-/m1/s1
PDB

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PC cid
PC sid
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Patents

Similars
Article
PubMed
 10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA

Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair