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BDBM50399765 CHEMBL2180255

SMILES: Cc1c(oc2ccc(F)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1

InChI Key: InChIKey=YTCKDPPOQBIMBR-PZJWPPBQSA-N

Data: 2 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 3 hits for monomerid = 50399765   
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
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399765
PNG
(CHEMBL2180255)
Show SMILES Cc1c(oc2ccc(F)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(19.29,-27.28,;20.54,-28.19,;20.53,-29.72,;21.99,-30.21,;22.89,-28.97,;24.41,-28.82,;25.05,-27.42,;24.15,-26.18,;24.78,-24.77,;22.63,-26.33,;22,-27.72,;19.38,-30.76,;19.37,-32.3,;18.04,-29.98,;16.71,-30.75,;15.38,-29.97,;14.05,-30.75,;14.05,-32.29,;15.38,-33.05,;14.59,-31.72,;15.97,-31.22,;16.71,-32.29,;18.04,-33.06,;18.04,-34.61,;16.7,-35.37,;16.7,-36.91,;18.03,-37.69,;19.37,-36.91,;19.37,-35.37,)|
Show InChI InChI=1S/C23H24FN3O2/c1-14-18-12-17(24)4-5-20(18)29-22(14)23(28)26-21-16-6-9-27(10-7-16)19(21)11-15-3-2-8-25-13-15/h2-5,8,12-13,16,19,21H,6-7,9-11H2,1H3,(H,26,28)/t19-,21+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
12.3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399765
PNG
(CHEMBL2180255)
Show SMILES Cc1c(oc2ccc(F)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(19.29,-27.28,;20.54,-28.19,;20.53,-29.72,;21.99,-30.21,;22.89,-28.97,;24.41,-28.82,;25.05,-27.42,;24.15,-26.18,;24.78,-24.77,;22.63,-26.33,;22,-27.72,;19.38,-30.76,;19.37,-32.3,;18.04,-29.98,;16.71,-30.75,;15.38,-29.97,;14.05,-30.75,;14.05,-32.29,;15.38,-33.05,;14.59,-31.72,;15.97,-31.22,;16.71,-32.29,;18.04,-33.06,;18.04,-34.61,;16.7,-35.37,;16.7,-36.91,;18.03,-37.69,;19.37,-36.91,;19.37,-35.37,)|
Show InChI InChI=1S/C23H24FN3O2/c1-14-18-12-17(24)4-5-20(18)29-22(14)23(28)26-21-16-6-9-27(10-7-16)19(21)11-15-3-2-8-25-13-15/h2-5,8,12-13,16,19,21H,6-7,9-11H2,1H3,(H,26,28)/t19-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399765
PNG
(CHEMBL2180255)
Show SMILES Cc1c(oc2ccc(F)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(19.29,-27.28,;20.54,-28.19,;20.53,-29.72,;21.99,-30.21,;22.89,-28.97,;24.41,-28.82,;25.05,-27.42,;24.15,-26.18,;24.78,-24.77,;22.63,-26.33,;22,-27.72,;19.38,-30.76,;19.37,-32.3,;18.04,-29.98,;16.71,-30.75,;15.38,-29.97,;14.05,-30.75,;14.05,-32.29,;15.38,-33.05,;14.59,-31.72,;15.97,-31.22,;16.71,-32.29,;18.04,-33.06,;18.04,-34.61,;16.7,-35.37,;16.7,-36.91,;18.03,-37.69,;19.37,-36.91,;19.37,-35.37,)|
Show InChI InChI=1S/C23H24FN3O2/c1-14-18-12-17(24)4-5-20(18)29-22(14)23(28)26-21-16-6-9-27(10-7-16)19(21)11-15-3-2-8-25-13-15/h2-5,8,12-13,16,19,21H,6-7,9-11H2,1H3,(H,26,28)/t19-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair