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BDBM50219843 (S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-3-(methylamino)-5-(trifluoromethyl)benzamide::CHEMBL398134

SMILES: CNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C

InChI Key: InChIKey=UGCKLKBKXFXRGZ-QFIPXVFZSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50219843   
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))		BDBM50219843
PNG
((S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-(tert-buty...)
Show SMILES CNc1cc(cc(c1)C(F)(F)F)C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H36F3N5O3/c1-16-7-8-18(17(2)9-16)13-32-14-22(25(38)35-26(3,4)5)34-23(36)15-33-24(37)19-10-20(27(28,29)30)12-21(11-19)31-6/h7-12,22,31-32H,13-15H2,1-6H3,(H,33,37)(H,34,36)(H,35,38)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/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