BindingDB logo
myBDB logout

BDBM42904 2-(4-chloranyl-3-methyl-phenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)ethanamide::2-(4-chloro-3-methyl-phenoxy)-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]acetamide::2-(4-chloro-3-methylphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide::MLS000040007::SMR000043272::cid_662539

SMILES: Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl

InChI Key: InChIKey=AOJXJQCEZQFXHP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 42904   
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 coactivator 3 isoform a


(Homo sapiens (Human))
BDBM42904
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(2-pyridin-4-yl...)
Show SMILES Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl
Show InChI InChI=1S/C21H16ClN3O3/c1-13-10-16(3-4-17(13)22)27-12-20(26)24-15-2-5-19-18(11-15)25-21(28-19)14-6-8-23-9-7-14/h2-11H,12H2,1H3,(H,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.06E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM42904
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(2-pyridin-4-yl...)
Show SMILES Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl
Show InChI InChI=1S/C21H16ClN3O3/c1-13-10-16(3-4-17(13)22)27-12-20(26)24-15-2-5-19-18(11-15)25-21(28-19)14-6-8-23-9-7-14/h2-11H,12H2,1H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.48E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM42904
PNG
(2-(4-chloranyl-3-methyl-phenoxy)-N-(2-pyridin-4-yl...)
Show SMILES Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl
Show InChI InChI=1S/C21H16ClN3O3/c1-13-10-16(3-4-17(13)22)27-12-20(26)24-15-2-5-19-18(11-15)25-21(28-19)14-6-8-23-9-7-14/h2-11H,12H2,1H3,(H,24,26)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.53E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair