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BDBM50219882 (S)-N-(2-(3-(4-ethyl-2-methylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide::CHEMBL246407

SMILES: CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1

InChI Key: InChIKey=QRPKNKZUXDIPJG-QFIPXVFZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219882   
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))		BDBM50219882
PNG
((S)-N-(2-(3-(4-ethyl-2-methylbenzylamino)-1-(tert-...)
Show SMILES CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H35F3N4O3/c1-6-18-10-11-20(17(2)12-18)14-31-15-22(25(37)34-26(3,4)5)33-23(35)16-32-24(36)19-8-7-9-21(13-19)27(28,29)30/h7-13,22,31H,6,14-16H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t22-/m0/s1
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PC sid
UniChem

Similars
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125]MCP1 from CCR2 in human PBMCs

Bioorg Med Chem Lett 17: 5455-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.028
BindingDB Entry DOI: 10.7270/Q29Z94NN
More data for this
Ligand-Target Pair