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BDBM50219869 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(benzylamino)-5-(trifluoromethyl)benzamide::CHEMBL247456

SMILES: Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1

InChI Key: InChIKey=WNDBBJRVNVBRDI-NDEPHWFRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219869   
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))		BDBM50219869
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(c2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C33H40F3N5O3/c1-21-11-12-24(22(2)13-21)18-37-19-28(31(44)41-32(3,4)5)40-29(42)20-39-30(43)25-14-26(33(34,35)36)16-27(15-25)38-17-23-9-7-6-8-10-23/h6-16,28,37-38H,17-20H2,1-5H3,(H,39,43)(H,40,42)(H,41,44)/t28-/m0/s1
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Article
PubMed
n/an/a 110n/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