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BDBM64851 2-(cyclohexylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid::2-[(cyclohexylamino)-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid::3-[(cyclohexylamino)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid::MLS000704826::SMR000231207::cid_3327313

SMILES: [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)NC1CCCCC1

InChI Key: InChIKey=ZAWJFWINTRTJRS-UHFFFAOYSA-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 = 64851   
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
BZLF1


(Human herpesvirus 4)
BDBM64851
PNG
(2-(cyclohexylcarbamoyl)-7-oxabicyclo[2.2.1]heptane...)
Show SMILES [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)NC1CCCCC1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
Show InChI InChI=1S/C14H21NO4/c16-13(15-8-4-2-1-3-5-8)11-9-6-7-10(19-9)12(11)14(17)18/h8-12H,1-7H2,(H,15,16)(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.03E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM64851
PNG
(2-(cyclohexylcarbamoyl)-7-oxabicyclo[2.2.1]heptane...)
Show SMILES [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)NC1CCCCC1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
Show InChI InChI=1S/C14H21NO4/c16-13(15-8-4-2-1-3-5-8)11-9-6-7-10(19-9)12(11)14(17)18/h8-12H,1-7H2,(H,15,16)(H,17,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.70E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair