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SMILES: CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)C(=O)OCc1ccccc1

InChI Key: InChIKey=BCGZEKDZDMYASL-BHBYDHKZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105557   
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))		BDBM50105557
PNG
(CHEMBL93851 | {1-[(3S,4S)-1-(2-Chloro-benzoyl)-4-p...)
Show SMILES CCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H38ClN3O3/c1-2-37(33(39)40-24-25-11-5-3-6-12-25)28-17-19-35(20-18-28)21-27-22-36(23-30(27)26-13-7-4-8-14-26)32(38)29-15-9-10-16-31(29)34/h3-16,27-28,30H,2,17-24H2,1H3/t27-,30+/m0/s1
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Similars
PubMed
n/an/a 2n/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