Found 62 hits with Last Name = 'petcher' and Initial = 'tj' 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 |
|---|
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224336
(CHEMBL1744168)Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC=C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C26H33ClN2O3.C4H4O4/c1-4-16-29(23-11-7-8-12-24(23)32-3)25(30)20(2)26(31)14-18-28(19-15-26)17-13-21-9-5-6-10-22(21)27;5-3(6)1-2-4(7)8/h4-12,20,31H,1,13-19H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50354578
(BUPRENORPHINE | US10752592, Compound buprenorphine...)Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224339
(CHEMBL1744167)Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC#C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C26H31ClN2O3.C4H4O4/c1-4-16-29(23-11-7-8-12-24(23)32-3)25(30)20(2)26(31)14-18-28(19-15-26)17-13-21-9-5-6-10-22(21)27;5-3(6)1-2-4(7)8/h1,5-12,20,31H,13-19H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50354578
(BUPRENORPHINE | US10752592, Compound buprenorphine...)Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224323
(CHEMBL1794881)Show SMILES OC(=O)\C=C\C(O)=O.CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC Show InChI InChI=1S/C26H35ClN2O3.C4H4O4/c1-4-16-29(23-11-7-8-12-24(23)32-3)25(30)20(2)26(31)14-18-28(19-15-26)17-13-21-9-5-6-10-22(21)27;5-3(6)1-2-4(7)8/h5-12,20,31H,4,13-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224340
(CHEMBL147150)Show SMILES CCOc1ccccc1N(CC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C26H35ClN2O3/c1-4-29(23-12-8-9-13-24(23)32-5-2)25(30)20(3)26(31)15-18-28(19-16-26)17-14-21-10-6-7-11-22(21)27/h6-13,20,31H,4-5,14-19H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224323
(CHEMBL1794881)Show SMILES OC(=O)\C=C\C(O)=O.CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC Show InChI InChI=1S/C26H35ClN2O3.C4H4O4/c1-4-16-29(23-11-7-8-12-24(23)32-3)25(30)20(2)26(31)14-18-28(19-15-26)17-13-21-9-5-6-10-22(21)27;5-3(6)1-2-4(7)8/h5-12,20,31H,4,13-19H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224341
(CHEMBL1744169)Show SMILES OC(=O)\C=C/C(O)=O.CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OCC Show InChI InChI=1S/C27H37ClN2O3.C4H4O4/c1-4-17-30(24-12-8-9-13-25(24)33-5-2)26(31)21(3)27(32)15-19-29(20-16-27)18-14-22-10-6-7-11-23(22)28;5-3(6)1-2-4(7)8/h6-13,21,32H,4-5,14-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224322
(CHEMBL1744170)Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC Show InChI InChI=1S/C25H33ClN2O3.C4H4O4/c1-4-28(22-11-7-8-12-23(22)31-3)24(29)19(2)25(30)14-17-27(18-15-25)16-13-20-9-5-6-10-21(20)26;5-3(6)1-2-4(7)8/h5-12,19,30H,4,13-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224341
(CHEMBL1744169)Show SMILES OC(=O)\C=C/C(O)=O.CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OCC Show InChI InChI=1S/C27H37ClN2O3.C4H4O4/c1-4-17-30(24-12-8-9-13-25(24)33-5-2)26(31)21(3)27(32)15-19-29(20-16-27)18-14-22-10-6-7-11-23(22)28;5-3(6)1-2-4(7)8/h6-13,21,32H,4-5,14-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224320
(CHEMBL1744186)Show SMILES OC(=O)\C=C\C(O)=O.CCOc1ccccc1N(C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C25H33ClN2O3.C4H4O4/c1-4-31-23-12-8-7-11-22(23)27(3)24(29)19(2)25(30)14-17-28(18-15-25)16-13-20-9-5-6-10-21(20)26;5-3(6)1-2-4(7)8/h5-12,19,30H,4,13-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224340
(CHEMBL147150)Show SMILES CCOc1ccccc1N(CC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C26H35ClN2O3/c1-4-29(23-12-8-9-13-24(23)32-5-2)25(30)20(3)26(31)15-18-28(19-16-26)17-14-21-10-6-7-11-22(21)27/h6-13,20,31H,4-5,14-19H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224319
(CHEMBL1744182)Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(CC=C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C25H37ClN2O2.C4H4O4/c1-3-16-28(22-10-5-4-6-11-22)24(29)20(2)25(30)14-18-27(19-15-25)17-13-21-9-7-8-12-23(21)26;5-3(6)1-2-4(7)8/h3,7-9,12,20,22,30H,1,4-6,10-11,13-19H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224336
(CHEMBL1744168)Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC=C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C26H33ClN2O3.C4H4O4/c1-4-16-29(23-11-7-8-12-24(23)32-3)25(30)20(2)26(31)14-18-28(19-15-26)17-13-21-9-5-6-10-22(21)27;5-3(6)1-2-4(7)8/h4-12,20,31H,1,13-19H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224321
(CHEMBL1744187)Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C24H31ClN2O3.C4H4O4/c1-18(23(28)26(2)21-10-6-7-11-22(21)30-3)24(29)13-16-27(17-14-24)15-12-19-8-4-5-9-20(19)25;5-3(6)1-2-4(7)8/h4-11,18,29H,12-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224339
(CHEMBL1744167)Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC#C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C26H31ClN2O3.C4H4O4/c1-4-16-29(23-11-7-8-12-24(23)32-3)25(30)20(2)26(31)14-18-28(19-15-26)17-13-21-9-5-6-10-22(21)27;5-3(6)1-2-4(7)8/h1,5-12,20,31H,13-19H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | 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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| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224322
(CHEMBL1744170)Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC Show InChI InChI=1S/C25H33ClN2O3.C4H4O4/c1-4-28(22-11-7-8-12-23(22)31-3)24(29)19(2)25(30)14-17-27(18-15-25)16-13-20-9-5-6-10-21(20)26;5-3(6)1-2-4(7)8/h5-12,19,30H,4,13-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
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KEGG
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224324
(CHEMBL1744191)Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC Show InChI InChI=1S/C26H35ClN2O3/c1-5-29(22-12-8-9-13-23(22)32-4)24(30)25(2,3)26(31)15-18-28(19-16-26)17-14-20-10-6-7-11-21(20)27/h6-13,31H,5,14-19H2,1-4H3 | PDB
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| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224320
(CHEMBL1744186)Show SMILES OC(=O)\C=C\C(O)=O.CCOc1ccccc1N(C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C25H33ClN2O3.C4H4O4/c1-4-31-23-12-8-7-11-22(23)27(3)24(29)19(2)25(30)14-17-28(18-15-25)16-13-20-9-5-6-10-21(20)26;5-3(6)1-2-4(7)8/h5-12,19,30H,4,13-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-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
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | 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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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Noncompetitive Iinhibitory activity against human liver DHPR enzyme |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50017543
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase using 10 uM qBH2 and 50 uM NADH assays |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224319
(CHEMBL1744182)Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(CC=C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C25H37ClN2O2.C4H4O4/c1-3-16-28(22-10-5-4-6-11-22)24(29)20(2)25(30)14-18-27(19-15-25)17-13-21-9-7-8-12-23(21)26;5-3(6)1-2-4(7)8/h3,7-9,12,20,22,30H,1,4-6,10-11,13-19H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50225476
(CHEMBL330849)Show SMILES [H][C@]12C[C@H](CSC)CN(CCC)[C@]1([H])Cc1cccc(O)c1C2 Show InChI InChI=1S/C18H27NOS/c1-3-7-19-11-13(12-21-2)8-15-9-16-14(10-17(15)19)5-4-6-18(16)20/h4-6,13,15,17,20H,3,7-12H2,1-2H3/t13-,15+,17+/m0/s1 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase (DHPR) |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50225361
(Etisulergine)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Metalloproteinase inhibitor 3
(Rattus norvegicus) | BDBM50225361
(Etisulergine)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1 | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against serotonin receptor from rat frontal cortex using [3H]spiperone as radioligand |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224324
(CHEMBL1744191)Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC Show InChI InChI=1S/C26H35ClN2O3/c1-5-29(22-12-8-9-13-23(22)32-4)24(30)25(2,3)26(31)15-18-28(19-16-26)17-14-20-10-6-7-11-21(20)27/h6-13,31H,5,14-19H2,1-4H3 | PDB
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| PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224342
(CHEMBL1788139)Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C23H35ClN2O2.C4H4O4/c1-18(22(27)25(2)20-9-4-3-5-10-20)23(28)13-16-26(17-14-23)15-12-19-8-6-7-11-21(19)24;5-3(6)1-2-4(7)8/h6-8,11,18,20,28H,3-5,9-10,12-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
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KEGG
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DrugBank
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50225362
(Norprolac | QUINAGOLIDE)Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against dopamine receptor from calf caudate using [3H]spiperone as radioligand |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224321
(CHEMBL1744187)Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C24H31ClN2O3.C4H4O4/c1-18(23(28)26(2)21-10-6-7-11-22(21)30-3)24(29)13-16-27(17-14-24)15-12-19-8-4-5-9-20(19)25;5-3(6)1-2-4(7)8/h4-11,18,29H,12-17H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50225476
(CHEMBL330849)Show SMILES [H][C@]12C[C@H](CSC)CN(CCC)[C@]1([H])Cc1cccc(O)c1C2 Show InChI InChI=1S/C18H27NOS/c1-3-7-19-11-13(12-21-2)8-15-9-16-14(10-17(15)19)5-4-6-18(16)20/h4-6,13,15,17,20H,3,7-12H2,1-2H3/t13-,15+,17+/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of rat liver |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | 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
MMDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | 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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| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50225361
(Etisulergine)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1 | PDB
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| PC cid
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR) |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Metalloproteinase inhibitor 3
(Rattus norvegicus) | BDBM50017543
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of rat liver |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50017543
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 | PDB
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| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against dopamine receptor from calf caudate using [3H]spiperone as radioligand |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50017543
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of rat liver |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
D(1A)/D(2) dopamine receptor
(BOVINE) | BDBM50225362
(Norprolac | QUINAGOLIDE)Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1 | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human liver Dihydropteridine reductase using 10 uM qBH2 and 50 uM NADH assays |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50225476
(CHEMBL330849)Show SMILES [H][C@]12C[C@H](CSC)CN(CCC)[C@]1([H])Cc1cccc(O)c1C2 Show InChI InChI=1S/C18H27NOS/c1-3-7-19-11-13(12-21-2)8-15-9-16-14(10-17(15)19)5-4-6-18(16)20/h4-6,13,15,17,20H,3,7-12H2,1-2H3/t13-,15+,17+/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against alpha-2 adrenergic receptor from rat brain minus cerebellum using [3H]clonidine as radioligand |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Metalloproteinase inhibitor 3
(Rattus norvegicus) | BDBM50017543
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 | PDB
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| n/a | n/a | 385 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against serotonin receptor from whole rat brain using [3H]5-HT as radioligand |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50001955
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1 | PDB
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| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against alpha-2 adrenergic receptor from rat brain minus cerebellum using [3H]clonidine as radioligand |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224342
(CHEMBL1788139)Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C23H35ClN2O2.C4H4O4/c1-18(22(27)25(2)20-9-4-3-5-10-20)23(28)13-16-26(17-14-23)15-12-19-8-6-7-11-21(19)24;5-3(6)1-2-4(7)8/h6-8,11,18,20,28H,3-5,9-10,12-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1- | PDB
MMDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl. |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor
(RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50225361
(Etisulergine)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against alpha-2 adrenergic receptor from rat brain minus cerebellum using [3H]clonidine as radioligand |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1
(Rattus norvegicus (rat)-RAT) | BDBM50224333
(Pipradimadol)Show SMILES CN(C1CCCCC1)C(=O)C(C)(C)C1(O)CCN(CCc2ccccc2Cl)CC1 Show InChI InChI=1S/C24H37ClN2O2/c1-23(2,22(28)26(3)20-10-5-4-6-11-20)24(29)14-17-27(18-15-24)16-13-19-9-7-8-12-21(19)25/h7-9,12,20,29H,4-6,10-11,13-18H2,1-3H3 | PDB
MMDB
Reactome pathway
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| PC cid
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| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl |
J Med Chem 26: 42-50 (1983)
BindingDB Entry DOI: 10.7270/Q23X88VD |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50017543
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1 | PDB
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PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase Inhibitor of chicken liver |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor
(Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50225476
(CHEMBL330849)Show SMILES [H][C@]12C[C@H](CSC)CN(CCC)[C@]1([H])Cc1cccc(O)c1C2 Show InChI InChI=1S/C18H27NOS/c1-3-7-19-11-13(12-21-2)8-15-9-16-14(10-17(15)19)5-4-6-18(16)20/h4-6,13,15,17,20H,3,7-12H2,1-2H3/t13-,15+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR) |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
Metalloproteinase inhibitor 3
(Rattus norvegicus) | BDBM50225476
(CHEMBL330849)Show SMILES [H][C@]12C[C@H](CSC)CN(CCC)[C@]1([H])Cc1cccc(O)c1C2 Show InChI InChI=1S/C18H27NOS/c1-3-7-19-11-13(12-21-2)8-15-9-16-14(10-17(15)19)5-4-6-18(16)20/h4-6,13,15,17,20H,3,7-12H2,1-2H3/t13-,15+,17+/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity against Dihydrofolate reductase of rat liver |
J Med Chem 28: 367-75 (1985)
BindingDB Entry DOI: 10.7270/Q22V2J98 |
More data for this
Ligand-Target Pair | |
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