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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 655.2
BDBM50104258

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50104258
PNG
(Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-(...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C33H39ClN4O6S/c1-3-19-37(33(39)44-25-26-12-14-31(15-13-26)38(40)41)30-17-21-36(22-18-30)20-16-28(27-8-7-9-29(34)23-27)24-35(2)45(42,43)32-10-5-4-6-11-32/h3-15,23,28,30H,1,16-22,24-25H2,2H3/t28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells


Bioorg Med Chem Lett 11: 2475-9 (2001)


BindingDB Entry DOI: 10.7270/Q2319V4F
More data for this
Ligand-Target Pair