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BDBM243901 US9428456, 1.239

SMILES: CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)CC1

InChI Key: InChIKey=PTTOGPLKIXXEIQ-UHFFFAOYSA-N

Data: 1 EC50

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 = 243901   
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
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM243901
PNG
(US9428456, 1.239)
Show SMILES CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)CC1
Show InChI InChI=1S/C25H30F3N3O2/c1-24(2,3)30-22(32)18-11-13-31(14-12-18)16-17-7-6-8-19(15-17)29-23(33)20-9-4-5-10-21(20)25(26,27)28/h4-10,15,18H,11-14,16H2,1-3H3,(H,29,33)(H,30,32)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/an/an/a37



Actelion Pharmaceuticals Ltd

US Patent


Assay Description
CHO-K1 CXCR7 b-arrestin cells are detached from culture dishes with a cell dissociation buffer (Invitrogen, #13151-014) and collected in growing medi...


US Patent US9428456 (2016)


BindingDB Entry DOI: 10.7270/Q29022PZ
More data for this
Ligand-Target Pair