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BDBM39467 2,5-dimethyl-3-furancarboxylic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester::2,5-dimethylfuran-3-carboxylic acid (2-indolin-1-yl-2-keto-ethyl) ester::MLS000097673::SMR000061688::[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 2,5-dimethylfuran-3-carboxylate::[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate::cid_2369751

SMILES: Cc1cc(C(=O)OCC(=O)N2CCc3ccccc23)c(C)o1

InChI Key: InChIKey=HOHANYNHRBYPMC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 39467   
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 ROR-alpha


(Homo sapiens (Human))
BDBM39467
PNG
(2,5-dimethyl-3-furancarboxylic acid [2-(2,3-dihydr...)
Show SMILES Cc1cc(C(=O)OCC(=O)N2CCc3ccccc23)c(C)o1
Show InChI InChI=1S/C17H17NO4/c1-11-9-14(12(2)22-11)17(20)21-10-16(19)18-8-7-13-5-3-4-6-15(13)18/h3-6,9H,7-8,10H2,1-2H3
PDB
MMDB

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KEGG

B.MOAD
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 897n/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 (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39467
PNG
(2,5-dimethyl-3-furancarboxylic acid [2-(2,3-dihydr...)
Show SMILES Cc1cc(C(=O)OCC(=O)N2CCc3ccccc23)c(C)o1
Show InChI InChI=1S/C17H17NO4/c1-11-9-14(12(2)22-11)17(20)21-10-16(19)18-8-7-13-5-3-4-6-15(13)18/h3-6,9H,7-8,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.24E+3n/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 (2007)


BindingDB Entry DOI: 10.7270/Q23T9FMP
More data for this
Ligand-Target Pair