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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor-like 2' and Ligand = 'BDBM163510'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor-like 2


(Homo sapiens (Human))
BDBM163510
PNG
(US9062048, 135)
Show SMILES CCC(NC(=O)C(F)(F)F)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |r,wD:10.9,13.16,(2.09,9.12,;2.09,7.58,;.76,6.81,;-.58,7.58,;-.58,9.12,;.76,9.89,;-1.91,9.89,;-3.24,10.66,;-1.14,11.23,;-2.68,8.56,;.76,5.27,;-.58,4.5,;-.58,2.96,;.76,2.19,;2.09,2.96,;2.09,4.5,;.76,.65,;1.85,-.44,;.76,-1.52,;-.33,-.44,;.76,-3.06,;-.58,-3.83,;-1.91,-3.06,;-.58,-5.37,;-1.91,-6.14,;-1.91,-7.68,;-3.24,-8.45,;-3.24,-9.99,;-1.91,-10.76,;-.58,-9.99,;.76,-10.76,;2.09,-9.99,;2.09,-8.45,;.76,-7.68,;-.58,-8.45,;3.42,-7.68,;4.76,-6.91,;2.65,-6.35,;4.19,-9.02,)|
Show InChI InChI=1S/C25H30F6N6O2/c1-2-19(36-23(39)25(29,30)31)14-3-6-17(7-4-14)37-11-16(12-37)35-21(38)10-32-22-18-9-15(24(26,27)28)5-8-20(18)33-13-34-22/h5,8-9,13-14,16-17,19H,2-4,6-7,10-12H2,1H3,(H,35,38)(H,36,39)(H,32,33,34)/t14-,17+,19?
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.98E+3n/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