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BDBM95575 4-[2-(3,5-dimethoxyphenyl)-3-furo[3,2-b]pyridinyl]-3-butyn-1-ol::4-[2-(3,5-dimethoxyphenyl)furo[3,2-b]pyridin-3-yl]but-3-yn-1-ol::MLS001249972::SMR000685939::cid_24793989

SMILES: COc1cc(OC)cc(c1)-c1oc2cccnc2c1C#CCCO

InChI Key: InChIKey=IKTWYYWUUAXFJF-UHFFFAOYSA-N

Data: 1 IC50

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 = 95575   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95575
PNG
(4-[2-(3,5-dimethoxyphenyl)-3-furo[3,2-b]pyridinyl]...)
Show SMILES COc1cc(OC)cc(c1)-c1oc2cccnc2c1C#CCCO
Show InChI InChI=1S/C19H17NO4/c1-22-14-10-13(11-15(12-14)23-2)19-16(6-3-4-9-21)18-17(24-19)7-5-8-20-18/h5,7-8,10-12,21H,4,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair