BindingDB logo
myBDB logout

null

SMILES: COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)(N)c2ccccc2)c1=O

InChI Key: InChIKey=LFQIPHGDVFLIHU-UHFFFAOYSA-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 = 50261182   
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
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50261182
PNG
(1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylpropyl)-...)
Show SMILES COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CC(C)(N)c2ccccc2)c1=O |(17.15,-7.98,;15.83,-8.78,;15.86,-10.31,;17.22,-11.06,;17.24,-12.6,;15.92,-13.39,;14.58,-12.64,;14.55,-11.11,;13.2,-10.37,;13.26,-13.43,;13.29,-14.98,;14.63,-15.73,;11.96,-15.77,;11.98,-17.31,;13.32,-18.06,;14.64,-17.27,;13.28,-16.52,;15.98,-18.01,;16,-19.56,;14.68,-20.35,;13.34,-19.59,;12.01,-20.38,;10.62,-15.02,;9.3,-15.8,;10.6,-13.47,;9.26,-12.72,;7.94,-13.5,;8.74,-14.82,;7.15,-12.18,;6.62,-14.3,;6.64,-15.84,;5.32,-16.63,;3.97,-15.87,;3.95,-14.34,;5.26,-13.54,;11.92,-12.69,;11.89,-11.15,)|
Show InChI InChI=1S/C28H26F3N3O3/c1-17-24(19-11-7-14-23(37-3)25(19)31)26(35)34(16-28(2,32)18-9-5-4-6-10-18)27(36)33(17)15-20-21(29)12-8-13-22(20)30/h4-14H,15-16,32H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 23n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc

Curated by ChEMBL


Assay Description
Binding affinity at human GnRH receptor

J Med Chem 51: 3331-48 (2008)


Article DOI: 10.1021/jm701249f
BindingDB Entry DOI: 10.7270/Q2KD1XQ0
More data for this
Ligand-Target Pair