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BDBM50219838 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-amino-5-(trifluoromethoxy)benzamide::CHEMBL247622

SMILES: Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1

InChI Key: InChIKey=WWXHPAOSNLSCAI-NRFANRHFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219838   
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))		BDBM50219838
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1
Show InChI InChI=1S/C26H34F3N5O4/c1-15-6-7-17(16(2)10-15)12-31-13-21(24(37)34-25(3,4)5)33-22(35)14-32-23(36)19-11-18(8-9-20(19)30)38-26(27,28)29/h6-11,21,31H,12-14,30H2,1-5H3,(H,32,36)(H,33,35)(H,34,37)/t21-/m0/s1
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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 28n/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