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SMILES: CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=GGUDFKQMOQUPBS-FNFJCYJNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50440548   
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 motif chemokine 2


(Homo sapiens (Human))		BDBM50440548
PNG
(CHEMBL2426348)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F6N3O/c1-16(2)26(9-8-21(13-26)37-24-7-6-22-18(14-35)4-3-5-23(22)24)25(38)36-15-17-10-19(27(29,30)31)12-20(11-17)28(32,33)34/h3-5,10-12,16,21,24,37H,6-9,13,15H2,1-2H3,(H,36,38)/t21-,24?,26+/m1/s1
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Article
PubMed
 70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes

J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
More data for this
Ligand-Target Pair