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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 Monomerid = 50110092   
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))
BDBM50110092
PNG
(Allyl-[1-((2S,3aS,4S,5S)-2,5-diphenyl-hexahydro-py...)
Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3[C@@H]4C[C@H](ON4C[C@@H]3c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C35H40N4O5/c1-2-19-37(35(40)43-25-26-13-15-30(16-14-26)39(41)42)29-17-20-36(21-18-29)23-32-31(27-9-5-3-6-10-27)24-38-33(32)22-34(44-38)28-11-7-4-8-12-28/h2-16,29,31-34H,1,17-25H2/t31-,32-,33+,34+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to displace [125I]-labeled MIP-1alpha from the C-C chemokine receptor type 5 expressed on CHO cell membranes


Bioorg Med Chem Lett 12: 677-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00835-6
BindingDB Entry DOI: 10.7270/Q2DF6QHH
More data for this
Ligand-Target Pair