Found 21 hits Enz. Inhib. hit(s) with all data for entry = 5174 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Nicotinic acetylcholine receptor
(RAT) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | UniProtKB/TrEMBL
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| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50049750
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1 | UniProtKB/TrEMBL
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50107863
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)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 | UniProtKB/TrEMBL
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| 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50023330
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3 | UniProtKB/TrEMBL
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| 6.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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 | UniProtKB/TrEMBL
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| 7.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50061562
((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11| Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1 | UniProtKB/TrEMBL
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| 28.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | UniProtKB/TrEMBL
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| 32.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50023330
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3 | PDB
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| 52.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50107863
((-)-cytisine | (1R,9R)-7,11-diazatricyclo[7.3.1.0~...)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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| 195 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | UniProtKB/TrEMBL
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| 428 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50004108
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)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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| 475 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | PDB
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| 881 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM81458
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1 | UniProtKB/TrEMBL
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| 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50004656
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | PDB
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| 3.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50061562
((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11| Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50038416
((1,6-trimethyl ammonium)hexane; dibromide | CHEMBL...)Show InChI InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2 | UniProtKB/TrEMBL
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Nicotinic acetylcholine receptor
(RAT) | BDBM50061565
((+)Methyl-(2,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl...)Show SMILES CNC1(C)C2CCC(C2)C1(C)C |TLB:3:2:8:5.6,THB:1:2:8:5.6| Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3 | UniProtKB/TrEMBL
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50038416
((1,6-trimethyl ammonium)hexane; dibromide | CHEMBL...)Show InChI InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM81458
(CAS_57-94-3 | NSC_6000 | d-Tubocurarine)Show SMILES COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
Mol Pharmacol 54: 322-33 (1998)
Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ |
More data for this
Ligand-Target Pair | |
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