BindingDB logo
myBDB logout

BDBM40494 MLS000036541::SMR000042120::cid_661492

SMILES: COCCCn1c2nc(C)n(-c3ccccc3OC)c(=O)c2c2nc3ccccc3nc12

InChI Key: InChIKey=LXPWECCDVYRJCI-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 = 40494   
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
Estrogen receptor


(Homo sapiens (Human))		BDBM40494
PNG
(MLS000036541 | SMR000042120 | cid_661492)
Show SMILES COCCCn1c2nc(C)n(-c3ccccc3OC)c(=O)c2c2nc3ccccc3nc12 |(13.64,6.58,;13.64,5.04,;12.31,4.27,;12.31,2.73,;10.98,1.96,;10.98,.42,;9.74,-.49,;8.19,-.13,;7.11,-1.3,;5.61,-.98,;7.6,-2.82,;6.57,-3.97,;7.06,-5.43,;6.03,-6.58,;4.52,-6.26,;4.04,-4.8,;5.07,-3.65,;4.59,-2.19,;3.08,-1.87,;9.16,-3.14,;9.66,-4.6,;10.21,-1.94,;11.74,-1.95,;12.78,-3.09,;14.28,-2.77,;15.34,-3.98,;16.91,-3.66,;17.4,-2.13,;16.32,-.95,;14.76,-1.31,;13.73,-.16,;12.22,-.48,)|
Show InChI InChI=1S/C24H23N5O3/c1-15-25-22-20(24(30)29(15)18-11-6-7-12-19(18)32-3)21-23(28(22)13-8-14-31-2)27-17-10-5-4-9-16(17)26-21/h4-7,9-12H,8,13-14H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.27E+4n/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...

PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F47MJ9
More data for this
Ligand-Target Pair