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BDBM50219894 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(perfluoroethyl)benzamide::CHEMBL246415

SMILES: Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1

InChI Key: InChIKey=RYKFYQRHNZLWBV-NRFANRHFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219894   
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))		BDBM50219894
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C27H33F5N4O3/c1-16-9-10-19(17(2)11-16)13-33-14-21(24(39)36-25(3,4)5)35-22(37)15-34-23(38)18-7-6-8-20(12-18)26(28,29)27(30,31)32/h6-12,21,33H,13-15H2,1-5H3,(H,34,38)(H,35,37)(H,36,39)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 65n/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