BDBM163453 US9062048, 81

SMILES: OC1(CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccns1

InChI Key: InChIKey=UAISHSJUKZZNTF-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 = 163453   

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))	BDBM163453 (US9062048, 81) Show SMILES OC1(CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccns1 |(-6.83,3.33,;-6.06,2,;-5.29,.67,;-3.75,.67,;-2.98,2,;-3.75,3.33,;-5.29,3.33,;-1.44,2,;-.36,.91,;.73,2,;-.36,3.09,;2.27,2,;3.04,.67,;2.27,-.67,;4.58,.67,;5.35,2,;6.89,2,;7.66,3.33,;9.2,3.33,;9.97,2,;9.2,.67,;9.97,-.67,;9.2,-2,;7.66,-2,;6.89,-.67,;7.66,.67,;6.89,-3.33,;6.12,-4.67,;5.35,-3.33,;7.66,-4.67,;-7.6,2,;-8.51,3.25,;-9.97,2.77,;-9.97,1.23,;-8.51,.75,)| Show InChI InChI=1S/C23H25F3N6O2S/c24-23(25,26)14-1-2-18-17(9-14)21(29-13-28-18)27-10-20(33)31-15-11-32(12-15)16-3-6-22(34,7-4-16)19-5-8-30-35-19/h1-2,5,8-9,13,15-16,34H,3-4,6-7,10-12H2,(H,31,33)(H,27,28,29)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	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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