BDBM163589 US9062048, 169

SMILES: CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F

InChI Key: InChIKey=HZJITTJLINIJQM-JQUQNNEZSA-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 = 163589   

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
Monocyte chemotactic protein-1 (MCP-1) (Homo sapiens (Human))	BDBM163589 (US9062048, 169) Show SMILES CC(C)C(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1nccc2ccc(cc12)C(F)(F)F |r,wU:5.4,8.11,(-9.94,-4,;-8.4,-4,;-7.63,-5.33,;-7.63,-2.67,;-8.4,-1.33,;-6.09,-2.67,;-5.32,-1.33,;-3.78,-1.33,;-3.01,-2.67,;-3.78,-4,;-5.32,-4,;-1.47,-2.67,;-.38,-3.76,;.7,-2.67,;-.38,-1.58,;2.24,-2.67,;3.01,-1.33,;2.24,,;4.55,-1.33,;5.32,,;6.86,,;7.63,-1.33,;9.17,-1.33,;9.94,,;9.17,1.33,;9.94,2.67,;9.17,4,;7.63,4,;6.86,2.67,;7.63,1.33,;6.86,5.33,;6.09,6.67,;5.38,4.94,;7.63,6.67,)| Show InChI InChI=1S/C25H33F3N4O2/c1-15(2)23(34)17-4-7-20(8-5-17)32-13-19(14-32)31-22(33)12-30-24-21-11-18(25(26,27)28)6-3-16(21)9-10-29-24/h3,6,9-11,15,17,19-20,23,34H,4-5,7-8,12-14H2,1-2H3,(H,29,30)(H,31,33)/t17-,20+,23?	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16...				US Patent US9062048 (2015) BindingDB Entry DOI: 10.7270/Q2ZP44W1
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