BDBM50219868 (S)-N-(2-(3-(2-ethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide::CHEMBL400159

SMILES: CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C(=O)NC(C)(C)C

InChI Key: InChIKey=XWZSYNVMIJQPAE-NRFANRHFSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219868   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50219868 ((S)-N-(2-(3-(2-ethylbenzylamino)-1-(tert-butylamin...) Show SMILES CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C26H33F3N4O3/c1-5-17-9-6-7-10-19(17)14-30-15-21(24(36)33-25(2,3)4)32-22(34)16-31-23(35)18-11-8-12-20(13-18)26(27,28)29/h6-13,21,30H,5,14-16H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/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