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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 = 'BDBM163507'   
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))
BDBM163507
PNG
(US9062048, 134)
Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CC[C@@H](CC3)N3CCS(=O)(=O)CC3)c2c1 |r,wU:24.28,(10.97,,;9.63,-.77,;10.4,-2.1,;8.86,.56,;8.3,-1.54,;8.3,-3.08,;6.96,-3.85,;5.63,-3.08,;4.3,-3.85,;2.96,-3.08,;2.96,-1.54,;4.3,-.77,;4.3,.77,;2.96,1.54,;2.96,3.08,;4.3,3.85,;1.63,3.85,;.3,3.08,;-1.19,3.48,;-1.59,1.99,;-.1,1.59,;-2.92,1.22,;-4.26,1.99,;-5.59,1.22,;-5.59,-.32,;-4.26,-1.09,;-2.92,-.32,;-6.92,-1.09,;-8.26,-.32,;-9.59,-1.09,;-9.59,-2.63,;-11.13,-2.63,;-10.93,-3.4,;-8.26,-3.4,;-6.92,-2.63,;5.63,-1.54,;6.96,-.77,)|
Show InChI InChI=1S/C24H31F3N6O3S/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-37(35,36)10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)/t18-,19?
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 72n/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