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BDBM50263095 (+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-pyridinyl]-7-azabicyclo[2.2.1]heptane::(+/-)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-pyridinyl]-7-azabicyclo[2.2.1]heptane::(-)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-pyridinyl]-7-azabicyclo[2.2.1]heptane::CHEMBL514372

InChI string: InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1

SMILES: CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1

InChI Key: InChIKey=QPAMZHIOZFVTFI-BZUAXINKSA-N

Data: 7 KI

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 = 50263095   
Target
(Institution)
LigandTarget
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
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50263095
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.0150n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50263095
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.0190n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-6 subunit


(Rattus norvegicus)
BDBM50263095
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
KEGG

UniProtKB/SwissProt

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PC cid
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PubMed
0.0310n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50263095
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
UniProtKB/SwissProt

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Article
PubMed
0.130n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50263095
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.580n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50263095
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
UniProtKB/SwissProt

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AffyNet 
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UniChem

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Article
PubMed
0.840n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha2beta4 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50263095
PNG
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)
Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1
Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
39n/an/an/an/an/an/an/an/a



The Johns Hopkins UniVersity School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells


J Med Chem 51: 4751-64 (2008)

More data for this
Ligand-Target Pair