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BDBM50338131 4,4,4-trifluoro-1-((1S,4S)-5-((1S,3R)-1-isopropyl-3-(tetrahydro-2H-pyran-4-ylamino)cyclopentanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)butan-1-one::CHEMBL1684696

SMILES: CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC(F)(F)F

InChI Key: InChIKey=RHXJHFZPBBDXCE-GHDARCQNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338131   
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 2


(Homo sapiens (Human))		BDBM50338131
PNG
(4,4,4-trifluoro-1-((1S,4S)-5-((1S,3R)-1-isopropyl-...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CCC(F)(F)F |r|
Show InChI InChI=1S/C23H36F3N3O3/c1-15(2)22(7-3-17(12-22)27-16-5-9-32-10-6-16)21(31)29-14-18-11-19(29)13-28(18)20(30)4-8-23(24,25)26/h15-19,27H,3-14H2,1-2H3/t17-,18+,19+,22+/m1/s1
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PC sid
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Similars
Article
PubMed
n/an/a 14.6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 preincubated 30 mins by human whole cell binding assay

Bioorg Med Chem Lett 21: 1827-31 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.052
BindingDB Entry DOI: 10.7270/Q2GM87M5
More data for this
Ligand-Target Pair