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BDBM91611 11q::alpha7 agonists 11q

SMILES: C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1

InChI Key: InChIKey=CBJPPTMKCAXLDB-QKDCVEJESA-N

Data: 6 KI  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 7 hits for monomerid = 91611   
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
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
50 -9.79n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3>-7.11n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3>-7.11n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3>-7.11n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+4>-6.41n/an/an/an/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+4>-6.41n/an/an/an/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.00E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair