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BDBM50219865 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-(isobutylamino)-5-(trifluoromethyl)benzamide::CHEMBL248188

SMILES: CC(C)CNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F

InChI Key: InChIKey=VTNBYIKQXYVSCU-VWLOTQADSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219865   
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))		BDBM50219865
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CC(C)CNc1ccc(cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C)C(F)(F)F
Show InChI InChI=1S/C30H42F3N5O3/c1-18(2)14-35-24-11-10-22(30(31,32)33)13-23(24)27(40)36-17-26(39)37-25(28(41)38-29(5,6)7)16-34-15-21-9-8-19(3)12-20(21)4/h8-13,18,25,34-35H,14-17H2,1-7H3,(H,36,40)(H,37,39)(H,38,41)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/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