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BDBM44706 (4-methylcyclohexyl) 3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate::(4-methylcyclohexyl) 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate::3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylcyclohexyl) ester::4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid (4-methylcyclohexyl) ester::MLS000116534::SMR000093504::cid_2996853

SMILES: CC1CCC(CC1)OC(=O)c1[nH]c2CCCC(=O)c2c1C

InChI Key: InChIKey=BJFBZCMAPVQWEQ-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 = 44706   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM44706
PNG
((4-methylcyclohexyl) 3-methyl-4-oxidanylidene-1,5,...)
Show SMILES CC1CCC(CC1)OC(=O)c1[nH]c2CCCC(=O)c2c1C |(16.57,-1.54,;15.03,-1.54,;14.26,-.21,;12.72,-.21,;11.95,-1.54,;12.72,-2.87,;14.26,-2.87,;10.41,-1.54,;9.64,-.21,;10.41,1.13,;8.1,-.21,;7.2,-1.45,;5.75,-.98,;4.41,-1.75,;3.08,-.98,;3.08,.56,;4.41,1.33,;4.41,2.87,;5.75,.56,;7.2,1.03,;7.68,2.5,)|
Show InChI InChI=1S/C17H23NO3/c1-10-6-8-12(9-7-10)21-17(20)16-11(2)15-13(18-16)4-3-5-14(15)19/h10,12,18H,3-9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.75E+4n/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/Q2ZP44SP
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44706
PNG
((4-methylcyclohexyl) 3-methyl-4-oxidanylidene-1,5,...)
Show SMILES CC1CCC(CC1)OC(=O)c1[nH]c2CCCC(=O)c2c1C |(16.57,-1.54,;15.03,-1.54,;14.26,-.21,;12.72,-.21,;11.95,-1.54,;12.72,-2.87,;14.26,-2.87,;10.41,-1.54,;9.64,-.21,;10.41,1.13,;8.1,-.21,;7.2,-1.45,;5.75,-.98,;4.41,-1.75,;3.08,-.98,;3.08,.56,;4.41,1.33,;4.41,2.87,;5.75,.56,;7.2,1.03,;7.68,2.5,)|
Show InChI InChI=1S/C17H23NO3/c1-10-6-8-12(9-7-10)21-17(20)16-11(2)15-13(18-16)4-3-5-14(15)19/h10,12,18H,3-9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.01E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair