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There are 8 purchasable compounds for target: Alpha-bungarotoxin isoform A31

Wt: 277.4
BDBM82071
Purchase
Wt: 297.4
BDBM84745
Purchase
Wt: 147.1
BDBM50004656
Purchase
Wt: 162.2
BDBM50004108
Purchase
Wt: 191.2
BDBM50061567
Purchase
Wt: 74.1
BDBM50079455
Purchase
Wt: 190.2
BDBM50107863
Purchase
Wt: 130.2
BDBM50149890
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 82071,84745,50004656,50004108,50061567,50079455,50107863,50149890   
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 Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM50061567
PNG
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)
Show SMILES C[N+]1(C)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
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MMDB

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CHEMBL
KEGG
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UniChem

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PubMed
670n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
PDB
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PubMed
900n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)

More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Neuropsychopharmacology 25: 871-80 (2001)

More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
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PubMed
1.70E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM50107863
PNG
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)
Show SMILES O=c1cccc2[C@H]3CNC[C@@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
PDB
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CHEMBL
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PubMed
1.80E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM50079455
PNG
(CHEMBL46486 | TETRAMETHYLAMMONIUM | tetramethylamm...)
Show SMILES C[N+](C)(C)C
Show InChI InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
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PubMed
2.40E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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PubMed
9.30E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Nicotinic Alpha-Bungarotoxin


(Bungarus multicinctus)
BDBM50149890
PNG
(CHEMBL9324 | tetraethylammonium)
Show SMILES CC[N+](CC)(CC)CC
Show InChI InChI=1S/C8H20N/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3/q+1
PDB
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair