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BDBM163382 US9062048, 45

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

InChI Key: InChIKey=RDMCZJRITMZVQR-HDICACEKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 163382   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Monocyte chemotactic protein-1 (MCP-1)


(Homo sapiens (Human))		BDBM163382
PNG
(US9062048, 45)
Show SMILES CCC(=O)N(C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.5,9.12,(-6.39,-4.18,;-6.39,-2.64,;-7.88,-2.24,;-8.97,-3.33,;-8.28,-.76,;-9.61,.01,;-6.94,.01,;-6.94,1.55,;-5.61,2.32,;-4.28,1.55,;-4.28,.01,;-5.61,-.76,;-2.94,2.32,;-1.46,1.93,;-1.06,3.41,;-2.55,3.81,;.28,4.18,;1.61,3.41,;2.94,4.18,;1.61,1.87,;2.94,1.1,;2.94,-.44,;1.61,-1.21,;1.61,-2.75,;2.94,-3.52,;4.28,-2.75,;5.61,-3.52,;6.94,-2.75,;6.94,-1.21,;5.61,-.44,;4.28,-1.21,;8.28,-.44,;9.61,-1.21,;8.28,1.1,;8.28,-1.98,)|
Show InChI InChI=1S/C24H31F3N6O2/c1-3-22(35)32(2)17-5-7-18(8-6-17)33-12-16(13-33)31-21(34)11-28-23-19-10-15(24(25,26)27)4-9-20(19)29-14-30-23/h4,9-10,14,16-18H,3,5-8,11-13H2,1-2H3,(H,31,34)(H,28,29,30)/t17-,18+
KEGG

UniProtKB/SwissProt
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 390n/an/an/an/an/an/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