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SMILES: CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2cccc3ccccc23)CC1)C(=O)OCc1ccccc1

InChI Key: InChIKey=NRTDAVJLOWCOMF-MFACQUFMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105500   
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))		BDBM50105500
PNG
(CHEMBL329140 | Ethyl-{1-[(3S,4S)-1-(naphthalene-1-...)
Show SMILES CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2cccc3ccccc23)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H41N3O3/c1-2-40(37(42)43-27-28-12-5-3-6-13-28)32-20-22-38(23-21-32)24-31-25-39(26-35(31)30-14-7-4-8-15-30)36(41)34-19-11-17-29-16-9-10-18-33(29)34/h3-19,31-32,35H,2,20-27H2,1H3/t31-,35+/m0/s1
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Similars
PubMed
n/an/a 4n/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