Found 88 hits with Last Name = 'aiello' and Initial = 'd' 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 |
|---|
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50000287
(2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl...)Show InChI InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2 | PDB
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| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50000296
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1 | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50027433
(CHEMBL603370 | GR-89696)Show SMILES COC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3 | PDB
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50039029
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50001028
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1 | PDB
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| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50603210
(CHEMBL5203422)Show SMILES [H][C@]12CC[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14| | PDB
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| PC cid
PC sid
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| Article
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| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603206
(CHEMBL5173028)Show SMILES [H][C@]12C[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:15:12:3.2:11,4:3:11:12.14.13| | PDB
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603215
(CHEMBL5175676)Show SMILES Clc1ccc(CC(=O)N2CCC3C[C@H](C2C3)N2CCCC2)cc1Cl |r,TLB:16:13:15:8.10.9,THB:6:8:13.12:15| | PDB
UniProtKB/SwissProt
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| PC cid
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PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
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| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50603207
(CHEMBL5185196)Show SMILES [H][C@@]12C[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:12.13.14:11,15:12:11:3.2| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603208
(CHEMBL5178401)Show SMILES [H][C@]12C[C@@H](N(C)C)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:13:10:3.2:9,4:3:9:10.12.11| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50603211
(CHEMBL5190238)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50603209
(CHEMBL5204863)Show SMILES [H][C@@]12C[C@H](N(C)C)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:10.11.12:9,13:10:9:3.2| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603210
(CHEMBL5203422)Show SMILES [H][C@]12CC[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14| | PDB
UniProtKB/SwissProt
B.MOAD
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603212
(CHEMBL5200121)Show SMILES CN(C)[C@@H]1CCC2CCN(C1C2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:1:3:11:9.7.8,THB:12:9:3.4.5:11| | PDB
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603217
(CHEMBL5208146)Show SMILES Clc1ccc(CC(=O)N2CCC3CC[C@H](C2C3)N2CCCC2)cc1Cl |r,TLB:17:14:16:8.10.9,THB:6:8:14.13.12:16| | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50603206
(CHEMBL5173028)Show SMILES [H][C@]12C[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:15:12:3.2:11,4:3:11:12.14.13| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603213
(CHEMBL5196638)Show SMILES Clc1ccc(CC(=O)N2CCN3CC[C@H](C2C3)N2CCCC2)cc1Cl |r,TLB:17:14:16:8.10.9,THB:6:8:14.13.12:16| | PDB
UniProtKB/SwissProt
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| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | UniProtKB/SwissProt
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
Reactome pathway
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| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603211
(CHEMBL5190238)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50603210
(CHEMBL5203422)Show SMILES [H][C@]12CC[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50603212
(CHEMBL5200121)Show SMILES CN(C)[C@@H]1CCC2CCN(C1C2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:1:3:11:9.7.8,THB:12:9:3.4.5:11| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50603207
(CHEMBL5185196)Show SMILES [H][C@@]12C[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:12.13.14:11,15:12:11:3.2| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50603209
(CHEMBL5204863)Show SMILES [H][C@@]12C[C@H](N(C)C)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:10.11.12:9,13:10:9:3.2| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50603208
(CHEMBL5178401)Show SMILES [H][C@]12C[C@@H](N(C)C)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:13:10:3.2:9,4:3:9:10.12.11| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 292 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50603211
(CHEMBL5190238)Show SMILES [H][C@@]12CC[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:16:13:4.3.2:12,5:4:12:13.15.14| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 487 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603209
(CHEMBL5204863)Show SMILES [H][C@@]12C[C@H](N(C)C)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:10.11.12:9,13:10:9:3.2| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 531 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50603206
(CHEMBL5173028)Show SMILES [H][C@]12C[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:15:12:3.2:11,4:3:11:12.14.13| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 534 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50603206
(CHEMBL5173028)Show SMILES [H][C@]12C[C@@H](N3CCCC3)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:15:12:3.2:11,4:3:11:12.14.13| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 542 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50603212
(CHEMBL5200121)Show SMILES CN(C)[C@@H]1CCC2CCN(C1C2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:1:3:11:9.7.8,THB:12:9:3.4.5:11| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 608 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Sigma intracellular receptor 2
(Rattus norvegicus (Rat)) | BDBM50603208
(CHEMBL5178401)Show SMILES [H][C@]12C[C@@H](N(C)C)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:13:10:3.2:9,4:3:9:10.12.11| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 811 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603216
(CHEMBL5200869)Show SMILES Clc1ccc(CC(=O)N2CCC3C[C@@H](C2C3)N2CCCC2)cc1Cl |r,TLB:16:13:15:8.10.9,THB:6:8:13.12:15| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 862 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50603208
(CHEMBL5178401)Show SMILES [H][C@]12C[C@@H](N(C)C)[C@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:13:10:3.2:9,4:3:9:10.12.11| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50603212
(CHEMBL5200121)Show SMILES CN(C)[C@@H]1CCC2CCN(C1C2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,TLB:1:3:11:9.7.8,THB:12:9:3.4.5:11| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603214
(CHEMBL5207267)Show SMILES Clc1ccc(CC(=O)N2CCN3CC[C@@H](C2C3)N2CCCC2)cc1Cl |r,TLB:17:14:16:8.10.9,THB:6:8:14.13.12:16| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50603207
(CHEMBL5185196)Show SMILES [H][C@@]12C[C@H](N3CCCC3)[C@@]([H])(C1)N(CC2)C(=O)Cc1ccc(Cl)c(Cl)c1 |r,THB:4:3:12.13.14:11,15:12:11:3.2| | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.114079
BindingDB Entry DOI: 10.7270/Q2XK8KNF |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Staphylococcus aureus) | BDBM50295892
((Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-ni...)Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)cc(OC)c1O Show InChI InChI=1S/C18H14N2O6S2/c1-25-13-7-10(8-14(26-2)16(13)21)9-15-17(22)19(18(27)28-15)11-3-5-12(6-4-11)20(23)24/h3-9,21H,1-2H3/b15-9- | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay |
Bioorg Med Chem 17: 4466-76 (2009)
Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Bacillus anthracis) | BDBM50400427
(CHEMBL2178445)Show SMILES Cc1c(OCc2ccc(cc2)-c2ccc(Cl)cc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12 Show InChI InChI=1S/C27H23ClO5/c1-16-22-11-13-24(17(2)26(22)33-27(31)23(16)12-14-25(29)30)32-15-18-3-5-19(6-4-18)20-7-9-21(28)10-8-20/h3-11,13H,12,14-15H2,1-2H3,(H,29,30) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay |
J Med Chem 55: 10896-908 (2012)
Article DOI: 10.1021/jm300922h
BindingDB Entry DOI: 10.7270/Q2MS3TWV |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Bacillus anthracis) | BDBM50400420
(CHEMBL2178452)Show SMILES CN(C)CCNC(=O)CCc1c(C)c2ccc(OCc3ccc(cc3)-c3ccccc3)c(C)c2oc1=O Show InChI InChI=1S/C31H34N2O4/c1-21-26-14-16-28(36-20-23-10-12-25(13-11-23)24-8-6-5-7-9-24)22(2)30(26)37-31(35)27(21)15-17-29(34)32-18-19-33(3)4/h5-14,16H,15,17-20H2,1-4H3,(H,32,34) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay |
J Med Chem 55: 10896-908 (2012)
Article DOI: 10.1021/jm300922h
BindingDB Entry DOI: 10.7270/Q2MS3TWV |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Staphylococcus aureus) | BDBM50295893
((Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3,5-dimethoxyb...)Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2ccc(Cl)cc2)cc(OC)c1O Show InChI InChI=1S/C18H14ClNO4S2/c1-23-13-7-10(8-14(24-2)16(13)21)9-15-17(22)20(18(25)26-15)12-5-3-11(19)4-6-12/h3-9,21H,1-2H3/b15-9- | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay |
Bioorg Med Chem 17: 4466-76 (2009)
Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Bacillus anthracis) | BDBM50400416
(CHEMBL2178456)Show SMILES CCc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12 Show InChI InChI=1S/C28H26O5/c1-3-22-25(32-17-19-9-11-21(12-10-19)20-7-5-4-6-8-20)15-13-23-18(2)24(14-16-26(29)30)28(31)33-27(22)23/h4-13,15H,3,14,16-17H2,1-2H3,(H,29,30) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay |
J Med Chem 55: 10896-908 (2012)
Article DOI: 10.1021/jm300922h
BindingDB Entry DOI: 10.7270/Q2MS3TWV |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Bacillus anthracis) | BDBM50400418
(CHEMBL2178454)Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCCC(O)=O)c(=O)oc12 Show InChI InChI=1S/C28H26O5/c1-18-23-15-16-25(19(2)27(23)33-28(31)24(18)9-6-10-26(29)30)32-17-20-11-13-22(14-12-20)21-7-4-3-5-8-21/h3-5,7-8,11-16H,6,9-10,17H2,1-2H3,(H,29,30) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay |
J Med Chem 55: 10896-908 (2012)
Article DOI: 10.1021/jm300922h
BindingDB Entry DOI: 10.7270/Q2MS3TWV |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Staphylococcus aureus) | BDBM50295894
((Z)-3-(3-chlorophenyl)-5-(4-hydroxy-3,5-dimethoxyb...)Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(OC)c1O Show InChI InChI=1S/C18H14ClNO4S2/c1-23-13-6-10(7-14(24-2)16(13)21)8-15-17(22)20(18(25)26-15)12-5-3-4-11(19)9-12/h3-9,21H,1-2H3/b15-8- | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix, Inc
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay |
Bioorg Med Chem 17: 4466-76 (2009)
Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Bacillus anthracis) | BDBM50400424
(CHEMBL2178448)Show SMILES Cc1c(OCc2ccc(cc2)-c2ccc(Cl)c(Cl)c2)ccc2c(C)c(CCC(O)=O)c(=O)oc12 Show InChI InChI=1S/C27H22Cl2O5/c1-15-20-8-11-24(16(2)26(20)34-27(32)21(15)9-12-25(30)31)33-14-17-3-5-18(6-4-17)19-7-10-22(28)23(29)13-19/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,30,31) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay |
J Med Chem 55: 10896-908 (2012)
Article DOI: 10.1021/jm300922h
BindingDB Entry DOI: 10.7270/Q2MS3TWV |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Bacillus anthracis) | BDBM50400429
(CHEMBL2178443)Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2)ccc2c(C)c(CCC(O)=O)c(=O)oc12 Show InChI InChI=1S/C27H24O5/c1-17-22-12-14-24(18(2)26(22)32-27(30)23(17)13-15-25(28)29)31-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-12,14H,13,15-16H2,1-2H3,(H,28,29) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay |
J Med Chem 55: 10896-908 (2012)
Article DOI: 10.1021/jm300922h
BindingDB Entry DOI: 10.7270/Q2MS3TWV |
More data for this
Ligand-Target Pair | |
Replicative DNA helicase
(Bacillus anthracis) | BDBM50400428
(CHEMBL2178444)Show SMILES Cc1c(OCc2ccc(cc2)-c2ccccc2C#N)ccc2c(C)c(CCC(O)=O)c(=O)oc12 Show InChI InChI=1S/C28H23NO5/c1-17-22-11-13-25(18(2)27(22)34-28(32)23(17)12-14-26(30)31)33-16-19-7-9-20(10-8-19)24-6-4-3-5-21(24)15-29/h3-11,13H,12,14,16H2,1-2H3,(H,30,31) | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Microbiotix Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Bacillus anthracis Sterne 34F2 replicative DNA helicase-mediated ATP-dependent dissociation of Hel-5'FAM:Hel-3'BHQ by FRET assay |
J Med Chem 55: 10896-908 (2012)
Article DOI: 10.1021/jm300922h
BindingDB Entry DOI: 10.7270/Q2MS3TWV |
More data for this
Ligand-Target Pair | |
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