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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 5' and Ligand = 'BDBM50121823'   
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 5


(Homo sapiens (Human))		BDBM50121823
PNG
(3-Cyclopropyl-2-[(3S,4S)-3-((R)-3-fluoro-phenyl)-4...)
Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CCC3(OCCO3)c3ccc(F)cc3)CC2)[C@H](C1)c1cccc(F)c1
Show InChI InChI=1S/C33H42F2N2O4/c34-28-8-6-27(7-9-28)33(40-16-17-41-33)13-10-23-11-14-36(15-12-23)20-26-21-37(31(32(38)39)18-24-4-5-24)22-30(26)25-2-1-3-29(35)19-25/h1-3,6-9,19,23-24,26,30-31H,4-5,10-18,20-22H2,(H,38,39)/t26-,30+,31+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]- labeled MIP-1alpha from CCR5 receptor expressed on CHO cell membrane

Bioorg Med Chem Lett 13: 119-23 (2002)


BindingDB Entry DOI: 10.7270/Q2CN7382
More data for this
Ligand-Target Pair