BindingDB logo
myBDB logout

null

SMILES: COc1cc(cc(C2CC2)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1)C(F)(F)F

InChI Key: InChIKey=VKFGWFYVUMXYFB-IRXDYDNUSA-N

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 = 100975   
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
Sodium- and chloride-dependent glycine transporter 1


(Bos taurus (Bovine))		BDBM100975
PNG
(US8524909, 57)
Show SMILES COc1cc(cc(C2CC2)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C21H27F3N2O3/c1-28-18-11-14(21(22,23)24)10-15(13-4-5-13)19(18)20(27)25-16-12-29-9-6-17(16)26-7-2-3-8-26/h10-11,13,16-17H,2-9,12H2,1H3,(H,25,27)/t16-,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 62.5n/an/an/an/an/a0



Hoffmann-La Roche Inc.

US Patent


Assay Description
Glycine uptake inhibition assay.

US Patent US8524909 (2013)


BindingDB Entry DOI: 10.7270/Q2QJ7FXS
More data for this
Ligand-Target Pair