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BDBM91617 17q::alpha7 agonists 17q

SMILES: C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=PPYDHVDMMAYDDI-PHZGNYQRSA-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 = 91617   
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)
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
110 -9.33n/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)
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
130 -9.23n/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)
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
300 -8.74n/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)
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
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))
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
5.00E+3 -7.52n/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))
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
8.00E+3 -7.23n/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))
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/an/an/a 900n/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