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BDBM163462 US9062048, 91

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

InChI Key: InChIKey=DILDFWYXJKZLAS-HMVYKDSGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 163462   
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))		BDBM163462
PNG
(US9062048, 91)
Show SMILES OC(CC=C)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wU:8.11,5.4,(-9.61,.23,;-8.28,-.54,;-8.28,-2.08,;-9.61,-2.85,;-9.61,-4.39,;-6.94,.23,;-6.94,1.77,;-5.61,2.54,;-4.28,1.77,;-4.28,.23,;-5.61,-.54,;-2.94,2.54,;-2.55,4.02,;-1.06,3.62,;-1.46,2.14,;.28,4.39,;1.61,3.62,;2.94,4.39,;1.61,2.08,;2.94,1.31,;2.94,-.23,;1.61,-1,;1.61,-2.54,;2.94,-3.31,;4.28,-2.54,;5.61,-3.31,;6.94,-2.54,;6.94,-1,;5.61,-.23,;4.28,-1,;8.28,-.23,;9.61,.54,;9.05,-1.56,;7.51,1.11,)|
Show InChI InChI=1S/C24H30F3N5O2/c1-2-3-21(33)15-4-7-18(8-5-15)32-12-17(13-32)31-22(34)11-28-23-19-10-16(24(25,26)27)6-9-20(19)29-14-30-23/h2,6,9-10,14-15,17-18,21,33H,1,3-5,7-8,11-13H2,(H,31,34)(H,28,29,30)/t15-,18+,21?
KEGG

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PC cid
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Similars
US Patent
n/an/a 16n/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