Found 6 hits of Enzyme Inhibition Constant Data 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
(Mus musculus (Mouse)-MOUSE) | 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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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit [3H]naltrexone binding to Opioid receptors |
J Med Chem 25: 1264-6 (1982)
BindingDB Entry DOI: 10.7270/Q29P33VW |
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
(Mus musculus (Mouse)-MOUSE) | BDBM50003560
(4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.0...)Show SMILES COc1ccc2CC3C4CCCCC4(CCN3C)c2c1 |TLB:19:18:8:16.14.15,17:16:8:18.5.6| Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3 | PDB
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UniProtKB/SwissProt
B.MOAD
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AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit [3H]naltrexone binding to Opioid receptors |
J Med Chem 25: 1264-6 (1982)
BindingDB Entry DOI: 10.7270/Q29P33VW |
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
(Mus musculus (Mouse)-MOUSE) | BDBM50223879
(CHEMBL280688)Show SMILES CN1CCC23CCCCC2C1Cc1ccc(OC(C)(C)C)cc31 |TLB:0:1:9:22.12.11,THB:21:22:9:1.3.2| Show InChI InChI=1S/C21H31NO/c1-20(2,3)23-16-9-8-15-13-19-17-7-5-6-10-21(17,18(15)14-16)11-12-22(19)4/h8-9,14,17,19H,5-7,10-13H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit [3H]naltrexone binding to Opioid receptors |
J Med Chem 25: 1264-6 (1982)
BindingDB Entry DOI: 10.7270/Q29P33VW |
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
(Mus musculus (Mouse)-MOUSE) | BDBM50017233
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9| Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1 | PDB
KEGG
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KEGG
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit [3H]naltrexone binding to Opioid receptors |
J Med Chem 25: 1264-6 (1982)
BindingDB Entry DOI: 10.7270/Q29P33VW |
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
(Mus musculus (Mouse)-MOUSE) | BDBM50019351
((-)-Codeine | (Codeine) | (codeine)10-methoxy-4-me...)Show SMILES COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:9| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit [3H]naltrexone binding to Opioid receptors |
J Med Chem 25: 1264-6 (1982)
BindingDB Entry DOI: 10.7270/Q29P33VW |
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
(Mus musculus (Mouse)-MOUSE) | BDBM50223878
(CHEMBL22919)Show SMILES [H][C@]12Oc3c4c(CC5C(C=C[C@@H]1O)C24CCN5C)ccc3OC(C)(C)C |c:9,TLB:3:4:8:16.14.15,THB:17:16:8:4.5.6| Show InChI InChI=1S/C21H27NO3/c1-20(2,3)25-16-8-5-12-11-14-13-6-7-15(23)19-21(13,9-10-22(14)4)17(12)18(16)24-19/h5-8,13-15,19,23H,9-11H2,1-4H3/t13?,14?,15-,19-,21?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required to inhibit [3H]naltrexone binding to Opioid receptors |
J Med Chem 25: 1264-6 (1982)
BindingDB Entry DOI: 10.7270/Q29P33VW |
More data for this
Ligand-Target Pair | |
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