BDBM163514 US9062048, 137

SMILES: CCC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)N(C)C

InChI Key: InChIKey=FNPLYOUROKYJMC-YNWFCRNISA-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 = 163514   

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))	BDBM163514 (US9062048, 137) Show SMILES CCC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)N(C)C |r,wU:3.2,6.9,(-10.38,2.47,;-9.05,1.7,;-7.71,2.47,;-6.38,1.7,;-5.05,2.47,;-3.71,1.7,;-3.71,.16,;-5.05,-.61,;-6.38,.16,;-2.38,-.61,;-1.98,-2.1,;-.49,-1.7,;-.89,-.21,;.84,-2.47,;2.17,-1.7,;2.17,-.16,;3.51,-2.47,;4.84,-1.7,;6.17,-2.47,;6.17,-4.01,;7.51,-4.78,;8.84,-4.01,;8.84,-2.47,;10.18,-1.7,;10.18,-.16,;8.84,.61,;7.51,-.16,;7.51,-1.7,;8.84,2.15,;8.84,3.69,;10.38,2.15,;7.3,2.15,;-7.71,4.01,;-9.05,4.78,;-6.38,4.78,)| Show InChI InChI=1S/C25H35F3N6O/c1-4-22(33(2)3)16-5-8-19(9-6-16)34-13-18(14-34)32-23(35)12-29-24-20-11-17(25(26,27)28)7-10-21(20)30-15-31-24/h7,10-11,15-16,18-19,22H,4-6,8-9,12-14H2,1-3H3,(H,32,35)(H,29,30,31)/t16-,19+,22?	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.04E+3	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