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BDBM39610 4-(1-azabicyclo[2.2.2]oct-2-ylmethyl)benzene-1,2-diol::4-(1-azabicyclo[2.2.2]octan-2-ylmethyl)benzene-1,2-diol;hydrochloride::4-(quinuclidin-2-ylmethyl)pyrocatechol;hydrochloride::MLS000047817::SMR000033822::cid_3025501

SMILES: [H]C12CCN(CC1)C(Cc1ccc(O)c(O)c1)C2

InChI Key: InChIKey=QBJJRDVOLFIZEN-UHFFFAOYSA-N

Data: 1 IC50  1 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 = 39610   
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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39610
PNG
(4-(1-azabicyclo[2.2.2]oct-2-ylmethyl)benzene-1,2-d...)
Show SMILES [H]C12CCN(CC1)C(Cc1ccc(O)c(O)c1)C2 |TLB:8:7:2.3:6.5,(7.09,2.4,;6.6,3.85,;2.76,2.16,;3.53,.83,;6.2,2.37,;9.02,1.2,;9.42,2.69,;4.69,5.16,;3.21,5.56,;2.81,7.05,;1.32,7.45,;.92,8.93,;2.01,10.02,;1.61,11.51,;3.5,9.62,;4.59,10.71,;3.9,8.14,;6.03,5.93,)|
Show InChI InChI=1S/C14H19NO2/c16-13-2-1-11(9-14(13)17)8-12-7-10-3-5-15(12)6-4-10/h1-2,9-10,12,16-17H,3-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.99E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2RV0M49
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM39610
PNG
(4-(1-azabicyclo[2.2.2]oct-2-ylmethyl)benzene-1,2-d...)
Show SMILES [H]C12CCN(CC1)C(Cc1ccc(O)c(O)c1)C2 |TLB:8:7:2.3:6.5,(7.09,2.4,;6.6,3.85,;2.76,2.16,;3.53,.83,;6.2,2.37,;9.02,1.2,;9.42,2.69,;4.69,5.16,;3.21,5.56,;2.81,7.05,;1.32,7.45,;.92,8.93,;2.01,10.02,;1.61,11.51,;3.5,9.62,;4.59,10.71,;3.9,8.14,;6.03,5.93,)|
Show InChI InChI=1S/C14H19NO2/c16-13-2-1-11(9-14(13)17)8-12-7-10-3-5-15(12)6-4-10/h1-2,9-10,12,16-17H,3-8H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R5M
More data for this
Ligand-Target Pair