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BDBM50313876 (4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-((S)-4-((1S,2S)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)methanone::CHEMBL1077353

SMILES: CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)C(F)(F)F

InChI Key: InChIKey=YFGSQEFJCPERJH-HBDPTTFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313876   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 5


(Homo sapiens (Human))
BDBM50313876
PNG
((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-((S)-4-((...)
Show SMILES CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)C(F)(F)F
Show InChI InChI=1S/C31H40F3N5O2/c1-5-41-27-13-21-10-24(31(32,33)34)6-7-26(21)29(27)39-9-8-37(14-18(39)2)25-11-22-15-38(16-23(22)12-25)30(40)28-19(3)35-17-36-20(28)4/h6-7,10,17-18,22-23,25,27,29H,5,8-9,11-16H2,1-4H3/t18-,22-,23+,25?,27-,29-/m0/s1
PDB

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Similars

Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells


Bioorg Med Chem Lett 20: 1830-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T
More data for this
Ligand-Target Pair