BDBM163524 US9062048, 140

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

InChI Key: InChIKey=NXGWDNIQBNLMJE-RWWHEGPVSA-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 = 163524   

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))	BDBM163524 (US9062048, 140) Show SMILES CCC(NS(=O)(=O)C(F)(F)F)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wD:11.10,14.17,(-9.17,-2.98,;-7.83,-2.21,;-6.5,-2.98,;-6.5,-4.52,;-7.83,-5.29,;-7.06,-6.62,;-8.6,-3.96,;-9.17,-6.06,;-10.5,-6.83,;-8.4,-7.39,;-9.94,-4.73,;-5.17,-2.21,;-3.83,-2.98,;-2.5,-2.21,;-2.5,-.67,;-3.83,.1,;-5.17,-.67,;-1.17,.1,;-.77,1.59,;.72,1.19,;.32,-.3,;2.05,1.96,;2.05,3.5,;.72,4.27,;3.39,4.27,;4.72,3.5,;4.72,1.96,;3.39,1.19,;3.39,-.35,;4.72,-1.12,;6.05,-.35,;7.39,-1.12,;8.72,-.35,;8.72,1.19,;7.39,1.96,;6.05,1.19,;10.06,1.96,;11.39,2.73,;10.83,.63,;9.29,3.29,)| Show InChI InChI=1S/C24H30F6N6O3S/c1-2-19(35-40(38,39)24(28,29)30)14-3-6-17(7-4-14)36-11-16(12-36)34-21(37)10-31-22-18-9-15(23(25,26)27)5-8-20(18)32-13-33-22/h5,8-9,13-14,16-17,19,35H,2-4,6-7,10-12H2,1H3,(H,34,37)(H,31,32,33)/t14-,17+,19?	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.00E+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