Found 7 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
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for In vitro binding constant for Opioid receptors by measuring the inhibition of stereospecific binding of [3H]naloxone in rat brain homogena... |
J Med Chem 23: 726-9 (1980)
BindingDB Entry DOI: 10.7270/Q2DN477F |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for In vitro binding constant for Opioid receptors by measuring the inhibition of stereospecific binding of [3H]naloxone in rat brain homogena... |
J Med Chem 23: 726-9 (1980)
BindingDB Entry DOI: 10.7270/Q2DN477F |
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) | BDBM50222211
(CHEMBL161927)Show SMILES Oc1ccc(cc1)C12CCC(C1)N(CCCC(=O)c1ccc(F)cc1)CC2 |THB:13:12:11:8.9| Show InChI InChI=1S/C23H26FNO2/c24-19-7-3-17(4-8-19)22(27)2-1-14-25-15-13-23(12-11-20(25)16-23)18-5-9-21(26)10-6-18/h3-10,20,26H,1-2,11-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for In vitro binding constant for Opioid receptors by measuring the inhibition of stereospecific binding of [3H]naloxone in rat brain homogena... |
J Med Chem 23: 726-9 (1980)
BindingDB Entry DOI: 10.7270/Q2DN477F |
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) | BDBM50222210
(CHEMBL436432)Show SMILES Oc1ccc(cc1)C12CCC(C1)N(CCc1ccccc1)CC2 |THB:13:12:11:8.9| Show InChI InChI=1S/C21H25NO/c23-20-8-6-18(7-9-20)21-12-10-19(16-21)22(15-13-21)14-11-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for In vitro binding constant for Opioid receptors by measuring the inhibition of stereospecific binding of [3H]naloxone in rat brain homogena... |
J Med Chem 23: 726-9 (1980)
BindingDB Entry DOI: 10.7270/Q2DN477F |
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) | BDBM50222212
(CHEMBL164424)Show SMILES Oc1ccc(cc1)C12CCC(C1)N(CC1CC1)CC2 |THB:13:12:11:8.9| Show InChI InChI=1S/C17H23NO/c19-16-5-3-14(4-6-16)17-8-7-15(11-17)18(10-9-17)12-13-1-2-13/h3-6,13,15,19H,1-2,7-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for In vitro binding constant for Opioid receptors by measuring the inhibition of stereospecific binding of [3H]naloxone in rat brain homogena... |
J Med Chem 23: 726-9 (1980)
BindingDB Entry DOI: 10.7270/Q2DN477F |
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) | BDBM50222208
(CHEMBL163372)Show SMILES CCCN1CCC2(CCC1C2)c1ccc(O)cc1 |THB:2:3:10:7.8| Show InChI InChI=1S/C16H23NO/c1-2-10-17-11-9-16(8-7-14(17)12-16)13-3-5-15(18)6-4-13/h3-6,14,18H,2,7-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for In vitro binding constant for Opioid receptors by measuring the inhibition of stereospecific binding of [3H]naloxone in rat brain homogena... |
J Med Chem 23: 726-9 (1980)
BindingDB Entry DOI: 10.7270/Q2DN477F |
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) | BDBM50222209
(CHEMBL161897)Show InChI InChI=1S/C14H19NO/c1-15-9-8-14(7-6-12(15)10-14)11-2-4-13(16)5-3-11/h2-5,12,16H,6-10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for In vitro binding constant for Opioid receptors by measuring the inhibition of stereospecific binding of [3H]naloxone in rat brain homogena... |
J Med Chem 23: 726-9 (1980)
BindingDB Entry DOI: 10.7270/Q2DN477F |
More data for this
Ligand-Target Pair | |
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