BDBM163450 US9062048, 77

SMILES: COc1cccc(n1)C1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F

InChI Key: InChIKey=ILLLEZNQARTKHO-UHFFFAOYSA-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 = 163450   

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))	BDBM163450 (US9062048, 77) Show SMILES COc1cccc(n1)C1(O)CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-11.1,-.67,;-9.56,-.67,;-8.79,.67,;-9.56,2,;-8.79,3.33,;-7.25,3.33,;-6.48,2,;-7.25,.67,;-4.94,2,;-5.71,3.33,;-4.17,.67,;-2.63,.67,;-1.86,2,;-2.63,3.33,;-4.17,3.33,;-.32,2,;.77,.91,;1.86,2,;.77,3.09,;3.4,2,;4.17,.67,;3.4,-.67,;5.71,.67,;6.48,2,;8.02,2,;8.79,3.33,;10.33,3.33,;11.1,2,;10.33,.67,;11.1,-.67,;10.33,-2,;8.79,-2,;8.02,-.67,;8.79,.67,;8.02,-3.33,;7.25,-4.67,;6.48,-3.33,;8.79,-4.67,)| Show InChI InChI=1S/C26H29F3N6O3/c1-38-23-4-2-3-21(34-23)25(37)9-7-18(8-10-25)35-13-17(14-35)33-22(36)12-30-24-19-11-16(26(27,28)29)5-6-20(19)31-15-32-24/h2-6,11,15,17-18,37H,7-10,12-14H2,1H3,(H,33,36)(H,30,31,32)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	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
					More data for this Ligand-Target Pair