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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 = 'BDBM50123133'   
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))
BDBM50123133
PNG
((2-Chloro-phenyl)-{(3S,4S)-3-phenyl-4-[4-(propyl-p...)
Show SMILES CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)c1ccccn1
Show InChI InChI=1S/C31H37ClN4O/c1-2-18-36(30-14-8-9-17-33-30)26-15-19-34(20-16-26)21-25-22-35(23-28(25)24-10-4-3-5-11-24)31(37)27-12-6-7-13-29(27)32/h3-14,17,25-26,28H,2,15-16,18-23H2,1H3/t25-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition over 48 hr of BAL strain HIV infrction of HeLa Magi cells expressing CCR5


Bioorg Med Chem Lett 13: 427-31 (2003)


Article DOI: 10.1016/s0960-894x(02)00988-5
BindingDB Entry DOI: 10.7270/Q2PR7VBW
More data for this
Ligand-Target Pair