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BDBM50232597 CHEMBL4092614

SMILES: C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2

InChI Key:

Data: 1 IC50  4 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 5 hits for monomerid = 50232597   
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
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon


(Homo sapiens (Human))
BDBM50232597
PNG
(CHEMBL4092614)
Show SMILES C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(16.17,-17.15,;17.32,-16.12,;16.69,-14.71,;17.47,-13.38,;19.01,-13.38,;19.77,-14.72,;21.32,-14.72,;22.08,-13.38,;21.31,-12.04,;19.77,-12.05,;15.16,-14.87,;14.84,-16.38,;14.83,-17.79,;12.66,-17.26,;12.67,-15.46,;13.24,-14.18,;13.31,-15.71,;11.91,-16.47,;11.59,-18.02,)|
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MMDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50232597
PNG
(CHEMBL4092614)
Show SMILES C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(16.17,-17.15,;17.32,-16.12,;16.69,-14.71,;17.47,-13.38,;19.01,-13.38,;19.77,-14.72,;21.32,-14.72,;22.08,-13.38,;21.31,-12.04,;19.77,-12.05,;15.16,-14.87,;14.84,-16.38,;14.83,-17.79,;12.66,-17.26,;12.67,-15.46,;13.24,-14.18,;13.31,-15.71,;11.91,-16.47,;11.59,-18.02,)|
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antibodypedia
antibodypedia
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n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50232597
PNG
(CHEMBL4092614)
Show SMILES C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(16.17,-17.15,;17.32,-16.12,;16.69,-14.71,;17.47,-13.38,;19.01,-13.38,;19.77,-14.72,;21.32,-14.72,;22.08,-13.38,;21.31,-12.04,;19.77,-12.05,;15.16,-14.87,;14.84,-16.38,;14.83,-17.79,;12.66,-17.26,;12.67,-15.46,;13.24,-14.18,;13.31,-15.71,;11.91,-16.47,;11.59,-18.02,)|
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n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50232597
PNG
(CHEMBL4092614)
Show SMILES C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(16.17,-17.15,;17.32,-16.12,;16.69,-14.71,;17.47,-13.38,;19.01,-13.38,;19.77,-14.72,;21.32,-14.72,;22.08,-13.38,;21.31,-12.04,;19.77,-12.05,;15.16,-14.87,;14.84,-16.38,;14.83,-17.79,;12.66,-17.26,;12.67,-15.46,;13.24,-14.18,;13.31,-15.71,;11.91,-16.47,;11.59,-18.02,)|
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50232597
PNG
(CHEMBL4092614)
Show SMILES C1N=C(Nc2cncnc2)O[C@]11CN2CCC1CC2 |r,wU:11.11,t:1,TLB:10:11:15.14:17.18,THB:0:11:15.14:17.18,(16.17,-17.15,;17.32,-16.12,;16.69,-14.71,;17.47,-13.38,;19.01,-13.38,;19.77,-14.72,;21.32,-14.72,;22.08,-13.38,;21.31,-12.04,;19.77,-12.05,;15.16,-14.87,;14.84,-16.38,;14.83,-17.79,;12.66,-17.26,;12.67,-15.46,;13.24,-14.18,;13.31,-15.71,;11.91,-16.47,;11.59,-18.02,)|
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1261-1266 (2017)

More data for this
Ligand-Target Pair