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BDBM50399768 CHEMBL2180252

SMILES: Cc1ccc2cc(oc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1

InChI Key: InChIKey=STZQGKJXRVFJDJ-SIKLNZKXSA-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 = 50399768   
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))
BDBM50399768
PNG
(CHEMBL2180252)
Show SMILES Cc1ccc2cc(oc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(27.77,-15.84,;26.23,-15.99,;25.33,-14.75,;23.81,-14.9,;23.19,-16.29,;21.72,-16.76,;21.71,-18.3,;23.17,-18.78,;24.08,-17.54,;25.6,-17.39,;20.56,-19.33,;20.56,-20.87,;19.23,-18.55,;17.89,-19.32,;16.56,-18.54,;15.23,-19.32,;15.23,-20.86,;16.56,-21.63,;15.77,-20.29,;17.15,-19.79,;17.89,-20.86,;19.22,-21.64,;19.22,-23.18,;17.88,-23.94,;17.88,-25.48,;19.22,-26.26,;20.56,-25.48,;20.55,-23.94,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-4-5-18-13-21(28-20(18)11-15)23(27)25-22-17-6-9-26(10-7-17)19(22)12-16-3-2-8-24-14-16/h2-5,8,11,13-14,17,19,22H,6-7,9-10,12H2,1H3,(H,25,27)/t19-,22+/m0/s1
PDB

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Article
PubMed
5.5n/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))
BDBM50399768
PNG
(CHEMBL2180252)
Show SMILES Cc1ccc2cc(oc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(27.77,-15.84,;26.23,-15.99,;25.33,-14.75,;23.81,-14.9,;23.19,-16.29,;21.72,-16.76,;21.71,-18.3,;23.17,-18.78,;24.08,-17.54,;25.6,-17.39,;20.56,-19.33,;20.56,-20.87,;19.23,-18.55,;17.89,-19.32,;16.56,-18.54,;15.23,-19.32,;15.23,-20.86,;16.56,-21.63,;15.77,-20.29,;17.15,-19.79,;17.89,-20.86,;19.22,-21.64,;19.22,-23.18,;17.88,-23.94,;17.88,-25.48,;19.22,-26.26,;20.56,-25.48,;20.55,-23.94,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-4-5-18-13-21(28-20(18)11-15)23(27)25-22-17-6-9-26(10-7-17)19(22)12-16-3-2-8-24-14-16/h2-5,8,11,13-14,17,19,22H,6-7,9-10,12H2,1H3,(H,25,27)/t19-,22+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

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antibodypedia
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PubMed
1.50E+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))
BDBM50399768
PNG
(CHEMBL2180252)
Show SMILES Cc1ccc2cc(oc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(27.77,-15.84,;26.23,-15.99,;25.33,-14.75,;23.81,-14.9,;23.19,-16.29,;21.72,-16.76,;21.71,-18.3,;23.17,-18.78,;24.08,-17.54,;25.6,-17.39,;20.56,-19.33,;20.56,-20.87,;19.23,-18.55,;17.89,-19.32,;16.56,-18.54,;15.23,-19.32,;15.23,-20.86,;16.56,-21.63,;15.77,-20.29,;17.15,-19.79,;17.89,-20.86,;19.22,-21.64,;19.22,-23.18,;17.88,-23.94,;17.88,-25.48,;19.22,-26.26,;20.56,-25.48,;20.55,-23.94,)|
Show InChI InChI=1S/C23H25N3O2/c1-15-4-5-18-13-21(28-20(18)11-15)23(27)25-22-17-6-9-26(10-7-17)19(22)12-16-3-2-8-24-14-16/h2-5,8,11,13-14,17,19,22H,6-7,9-10,12H2,1H3,(H,25,27)/t19-,22+/m0/s1
PDB

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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 110n/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