BindingDB logo
myBDB logout

BDBM114936 (E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)-2-propenamide::(E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylamide::(E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enamide::MLS001224857::SMR000678606::cid_24818453

SMILES: Fc1ccccc1NC(=O)C(=C\c1ccc[nH]1)\C#N

InChI Key: InChIKey=UHHKNRWTEXPYQI-CSKARUKUSA-N

Data: 2 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 2 hits for monomerid = 114936   
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 hormone receptor family member daf-12


(Caenorhabditis elegans)
BDBM114936
PNG
((E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)-...)
Show SMILES Fc1ccccc1NC(=O)C(=C\c1ccc[nH]1)\C#N
Show InChI InChI=1S/C14H10FN3O/c15-12-5-1-2-6-13(12)18-14(19)10(9-16)8-11-4-3-7-17-11/h1-8,17H,(H,18,19)/b10-8+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2736PK0
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM114936
PNG
((E)-2-cyano-N-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)-...)
Show SMILES Fc1ccccc1NC(=O)C(=C\c1ccc[nH]1)\C#N
Show InChI InChI=1S/C14H10FN3O/c15-12-5-1-2-6-13(12)18-14(19)10(9-16)8-11-4-3-7-17-11/h1-8,17H,(H,18,19)/b10-8+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D2C
More data for this
Ligand-Target Pair