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BDBM39038 6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid pentyl ester::6-(2-furyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid amyl ester::MLS000116501::SMR000093471::cid_5307230::pentyl 6-(furan-2-yl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate::pentyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

SMILES: CCCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1

InChI Key: InChIKey=NDCBMQWFBWYBLK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 39038   
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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39038
PNG
(6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroind...)
Show SMILES CCCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C19H23NO4/c1-3-4-5-8-24-19(22)18-12(2)17-14(20-18)10-13(11-15(17)21)16-7-6-9-23-16/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
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PC sid
UniChem

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PCBioAssay
n/an/a>1.22E+3n/an/an/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/Q2319T8T
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39038
PNG
(6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroind...)
Show SMILES CCCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C19H23NO4/c1-3-4-5-8-24-19(22)18-12(2)17-14(20-18)10-13(11-15(17)21)16-7-6-9-23-16/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
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n/an/a 7.30E+3n/an/an/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/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39038
PNG
(6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroind...)
Show SMILES CCCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C19H23NO4/c1-3-4-5-8-24-19(22)18-12(2)17-14(20-18)10-13(11-15(17)21)16-7-6-9-23-16/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
PDB
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n/an/a 1.87E+3n/an/an/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/Q2PR7TCX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39038
PNG
(6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroind...)
Show SMILES CCCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C19H23NO4/c1-3-4-5-8-24-19(22)18-12(2)17-14(20-18)10-13(11-15(17)21)16-7-6-9-23-16/h6-7,9,13,20H,3-5,8,10-11H2,1-2H3
PDB
MMDB

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n/an/a 3.25E+3n/an/an/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/Q2TH8K3N
More data for this
Ligand-Target Pair