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SMILES: [H][C@@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1

InChI Key: InChIKey=GSNHKUDZZFZSJB-MZKUHISZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50267124   
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))		BDBM50267124
PNG
(CHEMBL2163486)
Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)n1c(C)nnc1C(C)C)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,@@:7,THB:9:7:3.2:18|
Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24-,26+/m1/s1
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Article
PubMed
n/an/an/a 1.60n/an/an/an/an/a



University Park Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR5 expressed in HEK 293 Glosensor cells assessed as reduction in RANTES-induced intracellular calcium levels preincuba...

J Med Chem 60: 1534-1554 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01801
BindingDB Entry DOI: 10.7270/Q2251MPR
More data for this
Ligand-Target Pair