BDBM163506 US9062048, 133

SMILES: FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CC[C@@H](CC3)N3CCSCC3)c2c1

InChI Key: InChIKey=LQOWULNLASVYJL-NZANSXMDSA-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 = 163506   

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))	BDBM163506 (US9062048, 133) Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CC[C@@H](CC3)N3CCSCC3)c2c1 |r,wU:24.28,(10.2,,;8.86,-.77,;9.63,-2.1,;8.09,.56,;7.53,-1.54,;7.53,-3.08,;6.19,-3.85,;4.86,-3.08,;3.53,-3.85,;2.19,-3.08,;2.19,-1.54,;3.53,-.77,;3.53,.77,;2.19,1.54,;2.19,3.08,;3.53,3.85,;.86,3.85,;-.47,3.08,;-1.96,3.48,;-2.36,1.99,;-.87,1.59,;-3.69,1.22,;-5.03,1.99,;-6.36,1.22,;-6.36,-.32,;-5.03,-1.09,;-3.69,-.32,;-7.69,-1.09,;-9.03,-.32,;-10.36,-1.09,;-10.36,-2.63,;-9.03,-3.4,;-7.69,-2.63,;4.86,-1.54,;6.19,-.77,)| Show InChI InChI=1S/C24H31F3N6OS/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-35-10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)/t18-,19?	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	200	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