BindingDB logo
myBDB logout

BDBM50418473 CHEMBL1783272

SMILES: CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1cc(OC)ccc1OC

InChI Key: InChIKey=PFZUQESQYBPRGB-UHFFFAOYSA-N

Data: 1 KI

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 = 50418473   
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
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))		BDBM50418473
PNG
(CHEMBL1783272)
Show SMILES CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1cc(OC)ccc1OC |(5.04,-12.13,;3.71,-12.9,;2.38,-12.14,;1.05,-12.91,;-.29,-12.14,;-.29,-10.6,;-1.62,-12.92,;-1.62,-14.48,;-2.97,-15.26,;-4.31,-14.49,;-5.65,-15.26,;-6.98,-14.49,;-8.32,-15.26,;-6.98,-12.94,;-5.65,-12.17,;-4.32,-12.94,;-2.98,-12.15,;-2.99,-10.61,;-5.65,-16.8,;-4.32,-17.56,;-4.32,-19.09,;-2.98,-19.86,;-2.98,-21.4,;-5.66,-19.87,;-6.99,-19.09,;-6.99,-17.55,;-8.32,-16.78,;-9.65,-17.54,)|
Show InChI InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)12-6-7-14(21)16(18(12)24-25-19)13-10-11(27-2)5-8-15(13)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.62n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr

Bioorg Med Chem 19: 2927-38 (2011)


Article DOI: 10.1016/j.bmc.2011.03.035
BindingDB Entry DOI: 10.7270/Q29S1S98
More data for this
Ligand-Target Pair