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BDBM91621 21q::alpha7 agonists 21q

SMILES: Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1

InChI Key: InChIKey=VZADPKKBVQKZLB-LDLYASANSA-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 = 91621   
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)
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
18 -10.4n/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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
30 -10.1n/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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
40 -9.92n/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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
400 -8.58n/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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
2.71E+4 -6.48n/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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
>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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 |TLB:13:16:19.20:23|
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/an/an/a 3.00E+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: 10.1021/acs.biochem.6b00446
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair