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SMILES: CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1

InChI Key: InChIKey=AIEICGJWVNJQPK-UBRQYEGLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50374079   
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))		BDBM50374079
PNG
(CHEMBL404056)
Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 |THB:17:16:10.9.15:13.12|
Show InChI InChI=1S/C29H36Cl2N6O/c1-19(2)28-34-33-20(3)37(28)24-17-22-13-14-23(18-24)35(22)15-8-16-36(21-9-5-4-6-10-21)29(38)32-27-25(30)11-7-12-26(27)31/h4-7,9-12,19,22-24H,8,13-18H2,1-3H3,(H,32,38)/t22-,23+,24+
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Similars
Article
PubMed
n/an/a 539n/an/an/an/an/an/a



K£mia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells

Bioorg Med Chem Lett 18: 1498-501 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.058
BindingDB Entry DOI: 10.7270/Q2V125PH
More data for this
Ligand-Target Pair