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SMILES: [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3cccc4ccccc34)CC2)cc1

InChI Key: InChIKey=FCFLGZCFJAOPAM-SVXHESJVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105555   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50105555
PNG
(Allyl-{1-[(3S,4S)-1-(naphthalene-1-carbonyl)-4-phe...)
Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(C[C@@H]3c3ccccc3)C(=O)c3cccc4ccccc34)CC2)cc1
Show InChI InChI=1S/C38H40N4O5/c1-2-21-41(38(44)47-27-28-15-17-33(18-16-28)42(45)46)32-19-22-39(23-20-32)24-31-25-40(26-36(31)30-9-4-3-5-10-30)37(43)35-14-8-12-29-11-6-7-13-34(29)35/h2-18,31-32,36H,1,19-27H2/t31-,36+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration, binding towards C-C chemokine receptor type 5 using [125I]-MIP-1 alpha as radioligand expressed on CHO cells

Bioorg Med Chem Lett 11: 2741-5 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NFC
More data for this
Ligand-Target Pair