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BDBM50219896 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-(cyclohexanecarboxamido)-5-(trifluoromethyl)benzamide::CHEMBL247635

SMILES: Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NC(=O)C2CCCCC2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1

InChI Key: InChIKey=AOCRHIVQXBBGQL-MHZLTWQESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219896   
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))		BDBM50219896
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(ccc2NC(=O)C2CCCCC2)C(F)(F)F)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C33H44F3N5O4/c1-20-11-12-23(21(2)15-20)17-37-18-27(31(45)41-32(3,4)5)39-28(42)19-38-30(44)25-16-24(33(34,35)36)13-14-26(25)40-29(43)22-9-7-6-8-10-22/h11-16,22,27,37H,6-10,17-19H2,1-5H3,(H,38,44)(H,39,42)(H,40,43)(H,41,45)/t27-/m0/s1
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KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 90n/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