BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 807 hits of ic50 for UniProtKB: Q9R0C9   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit stereospecific [3H]- naltrexone binding by 50% in rat brain homogenate


J Med Chem 27: 1219-22 (1984)


Article DOI: 10.1021/jm00375a024
BindingDB Entry DOI: 10.7270/Q2RJ4MPW
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM82427
PNG
(CAS_5985-38-6 | LEVORPHANOL-tartarate)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1/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+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit stereospecific [3H]- naltrexone binding by 50% in rat brain homogenate


J Med Chem 27: 1219-22 (1984)


Article DOI: 10.1021/jm00375a024
BindingDB Entry DOI: 10.7270/Q2RJ4MPW
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225315
PNG
(LEVOMETHORPHAN HYDROBROMIDE | Levomethorphan Hydro...)
Show SMILES Br.COc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C)c2c1
Show InChI InChI=1S/C18H25NO.BrH/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;1H/t15?,17-,18-;/m1./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.00000200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit stereospecific [3H]- naltrexone binding by 50% in rat brain homogenate


J Med Chem 27: 1219-22 (1984)


Article DOI: 10.1021/jm00375a024
BindingDB Entry DOI: 10.7270/Q2RJ4MPW
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225316
PNG
(CHEMBL2062278)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Oc2ccccc2)cc31
Show InChI InChI=1S/C23H27NO.C4H6O6/c1-24-14-13-23-12-6-5-9-20(23)22(24)15-17-10-11-19(16-21(17)23)25-18-7-3-2-4-8-18;5-1(3(7)8)2(6)4(9)10/h2-4,7-8,10-11,16,20,22H,5-6,9,12-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-,22+,23+;/m0./s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.00000500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit stereospecific [3H]- naltrexone binding by 50% in rat brain homogenate


J Med Chem 27: 1219-22 (1984)


Article DOI: 10.1021/jm00375a024
BindingDB Entry DOI: 10.7270/Q2RJ4MPW
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50019351
PNG
((-)-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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0000100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit stereospecific [3H]- naltrexone binding by 50% in rat brain homogenate


J Med Chem 27: 1219-22 (1984)


Article DOI: 10.1021/jm00375a024
BindingDB Entry DOI: 10.7270/Q2RJ4MPW
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225205
PNG
(CHEMBL540269)
Show SMILES Br.CO[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1/C18H21NO4.BrH/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10;/h3-4,13,16,20H,5-9H2,1-2H3;1H/t13?,16-,17-,18+;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.00300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31
Show InChI InChI=1/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+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.00400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibition of stereospecific [3H]-naltrexone (10e-9 M) binding towards opiate receptor in rat brain homogenate


J Med Chem 28: 1177-80 (1985)


Article DOI: 10.1021/jm00147a009
BindingDB Entry DOI: 10.7270/Q2X350PW
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50000788
PNG
((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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.00400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the presence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50000788
PNG
((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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.00900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225845
PNG
(CHEMBL293967)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\C(=O)OCCc1ccccc1
Show InChI InChI=1S/C32H36N2O6/c35-24-9-8-22-18-25-32(38)14-12-23(33-26(36)10-11-27(37)39-17-13-20-4-2-1-3-5-20)30-31(32,28(22)29(24)40-30)15-16-34(25)19-21-6-7-21/h1-5,8-11,21,23,25,30,35,38H,6-7,12-19H2,(H,33,36)/b11-10+/t23-,25?,30?,31?,32-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.0150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand


J Med Chem 29: 1868-71 (1986)


Article DOI: 10.1021/jm00160a013
BindingDB Entry DOI: 10.7270/Q2D50Q50
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225204
PNG
(CHEMBL606711)
Show SMILES CO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12
Show InChI InChI=1/C18H23NO3/c1-19-9-8-17-11-13(20)6-7-18(17,22-2)15(19)10-12-4-3-5-14(21)16(12)17/h3-5,15,21H,6-11H2,1-2H3/t15-,17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibition of stereospecific [3H]-naltrexone (10e-9 M) binding towards opiate receptor in rat brain homogenate


J Med Chem 28: 1177-80 (1985)


Article DOI: 10.1021/jm00147a009
BindingDB Entry DOI: 10.7270/Q2X350PW
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(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
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035141
PNG
(1'-(cyclohexylbutyl)-3H-spiro[2-benzofuran-1,4'-pi...)
Show SMILES C(CCN1CCC2(CC1)OCc1ccccc21)CC1CCCCC1
Show InChI InChI=1S/C22H33NO/c1-2-8-19(9-3-1)10-6-7-15-23-16-13-22(14-17-23)21-12-5-4-11-20(21)18-24-22/h4-5,11-12,19H,1-3,6-10,13-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035145
PNG
(1'-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1...)
Show SMILES C(COC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H31NO2/c1-2-8-19(9-3-1)23-16-6-13-22-14-11-21(12-15-22)20-10-5-4-7-18(20)17-24-21/h4-5,7,10,19H,1-3,6,8-9,11-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225205
PNG
(CHEMBL540269)
Show SMILES Br.CO[C@]12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1/C18H21NO4.BrH/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10;/h3-4,13,16,20H,5-9H2,1-2H3;1H/t13?,16-,17-,18+;/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the presence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225211
PNG
(CHEMBL606767)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c2c1OC
Show InChI InChI=1/C20H27NO4/c1-21-10-9-19-12-14(22)7-8-20(19,25-4)16(21)11-13-5-6-15(23-2)18(24-3)17(13)19/h5-6,16H,7-12H2,1-4H3/t16-,19-,20-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.0850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50054124
PNG
(1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl...)
Show SMILES COc1cccc2C(CCCN3CCCC(C)(C)C3)CCCc12
Show InChI InChI=1/C21H33NO/c1-21(2)13-7-15-22(16-21)14-6-9-17-8-4-11-19-18(17)10-5-12-20(19)23-3/h5,10,12,17H,4,6-9,11,13-16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0890n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.


J Med Chem 41: 3940-7 (1998)


Article DOI: 10.1021/jm970692a
BindingDB Entry DOI: 10.7270/Q2NK3D5Q
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035105
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.120n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035133
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)SCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C30H31FN2S/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the presence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50326670
PNG
(17-methoxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyc...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4cccc5C[C@H]1N(C)CC[C@@]23c45
Show InChI InChI=1/C18H21NO3/c1-19-9-8-17-15-11-4-3-5-13(15)22-16(17)12(20)6-7-18(17,21-2)14(19)10-11/h3-5,14,16H,6-10H2,1-2H3/t14-,16+,17+,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225206
PNG
(CHEMBL606643)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1cccc(O)c31
Show InChI InChI=1/C17H21NO3/c1-18-8-7-16-10-12(19)5-6-17(16,21)14(18)9-11-3-2-4-13(20)15(11)16/h2-4,14,20-21H,5-10H2,1H3/t14-,16-,17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035144
PNG
(1'-(2-phenylhexyl)-3H-spiro[2-benzofuran-1,4'-pipe...)
Show SMILES C(CCCc1ccccc1)CCN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C24H31NO/c1(4-10-21-11-5-3-6-12-21)2-9-17-25-18-15-24(16-19-25)23-14-8-7-13-22(23)20-26-24/h3,5-8,11-14H,1-2,4,9-10,15-20H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035122
PNG
(1'-(2-phenylpentyl)-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES C(CCN1CCC2(CC1)OCc1ccccc21)CCc1ccccc1
Show InChI InChI=1S/C23H29NO/c1-3-9-20(10-4-1)11-5-2-8-16-24-17-14-23(15-18-24)22-13-7-6-12-21(22)19-25-23/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225213
PNG
(CHEMBL606820)
Show SMILES CO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2ccccc12
Show InChI InChI=1/C18H23NO2/c1-19-10-9-17-12-14(20)7-8-18(17,21-2)16(19)11-13-5-3-4-6-15(13)17/h3-6,16H,7-12H2,1-2H3/t16-,17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50027473
PNG
(3-Methyl-1-phenethyl-4-(phenyl-propionyl-amino)-pi...)
Show SMILES CCC(=O)N(c1ccccc1)[C@]1(CCN(CCc2ccccc2)C[C@H]1C)C(=O)OC
Show InChI InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]nalotrexone from rat-brain Opioid receptors


J Med Chem 25: 913-9 (1982)


Article DOI: 10.1021/jm00350a006
BindingDB Entry DOI: 10.7270/Q2CF9S9G
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035129
PNG
(1'-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4'-pipe...)
Show SMILES C(CCc1ccccc1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C22H27NO/c1-2-8-19(9-3-1)10-6-7-15-23-16-13-22(14-17-23)21-12-5-4-11-20(21)18-24-22/h1-5,8-9,11-12H,6-7,10,13-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035097
PNG
(1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...)
Show SMILES C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-5,7-9,11H,6,10,12-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine


J Med Chem 38: 1998-2008 (1995)


Article DOI: 10.1021/jm00011a019
BindingDB Entry DOI: 10.7270/Q2SJ1M8P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035134
PNG
(1'-(3-(cyclohexylthio)propyl)-3H-spiro[2-benzofura...)
Show SMILES C(CSC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H31NOS/c1-2-8-19(9-3-1)24-16-6-13-22-14-11-21(12-15-22)20-10-5-4-7-18(20)17-23-21/h4-5,7,10,19H,1-3,6,8-9,11-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035097
PNG
(1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...)
Show SMILES C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1
Show InChI InChI=1S/C21H25N/c1-2-7-18(8-3-1)17-22-15-13-21(14-16-22)12-6-10-19-9-4-5-11-20(19)21/h1-5,7-9,11H,6,10,12-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035129
PNG
(1'-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4'-pipe...)
Show SMILES C(CCc1ccccc1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C22H27NO/c1-2-8-19(9-3-1)10-6-7-15-23-16-13-22(14-17-23)21-12-5-4-11-20(21)18-24-22/h1-5,8-9,11-12H,6-7,10,13-18H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.270n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50013184
PNG
(1H-Indole-2-carboxylic acid [5-(2-fluoro-phenyl)-1...)
Show SMILES CN1C(CNC(=O)c2cc3ccccc3[nH]2)CN=C(c2ccccc2F)c2ccccc12
Show InChI InChI=1/C26H23FN4O/c1-31-18(16-29-26(32)23-14-17-8-2-6-12-22(17)30-23)15-28-25(19-9-3-5-11-21(19)27)20-10-4-7-13-24(20)31/h2-14,18,30H,15-16H2,1H3,(H,29,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors


J Med Chem 33: 450-5 (1990)


Article DOI: 10.1021/jm00163a069
BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225848
PNG
(CHEMBL53563)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)[C@@H](CC[C@@]35O)NC(=O)\C=C\C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H34N2O6/c34-23-9-8-21-16-24-31(37)13-12-22(32-25(35)10-11-26(36)38-18-20-4-2-1-3-5-20)29-30(31,27(21)28(23)39-29)14-15-33(24)17-19-6-7-19/h1-5,8-11,19,22,24,29,34,37H,6-7,12-18H2,(H,32,35)/b11-10+/t22-,24?,29?,30?,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against opioid receptor in rat brain membranes, using [3H]dihydromorphine as the radioligand


J Med Chem 29: 1868-71 (1986)


Article DOI: 10.1021/jm00160a013
BindingDB Entry DOI: 10.7270/Q2D50Q50
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50225214
PNG
(CHEMBL606769)
Show SMILES CN1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccccc31
Show InChI InChI=1/C17H21NO2/c1-18-9-8-16-11-13(19)6-7-17(16,20)15(18)10-12-4-2-3-5-14(12)16/h2-5,15,20H,6-11H2,1H3/t15-,16-,17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50326659
PNG
(3,10-dimethoxy-17-methyl-(10S)-17-azatetracyclo[7....)
Show SMILES COc1cccc2C[C@H]3N(C)CC[C@@]4(CC(=O)CC[C@@]34OC)c12
Show InChI InChI=1/C19H25NO3/c1-20-10-9-18-12-14(21)7-8-19(18,23-3)16(20)11-13-5-4-6-15(22-2)17(13)18/h4-6,16H,7-12H2,1-3H3/t16-,18-,19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl


J Med Chem 27: 1575-9 (1984)


Article DOI: 10.1021/jm00378a009
BindingDB Entry DOI: 10.7270/Q2X92DHJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035142
PNG
(1-[1-(4-fluorophenyl)-1H-3-indolyl]-4-[6-fluorospi...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)OCc2ccc(F)cc32)c2ccccc12
Show InChI InChI=1S/C30H30F2N2O/c31-24-10-12-26(13-11-24)34-20-22(27-6-1-2-7-29(27)34)5-3-4-16-33-17-14-30(15-18-33)28-19-25(32)9-8-23(28)21-35-30/h1-2,6-13,19-20H,3-5,14-18,21H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035135
PNG
(1'-{4-[1-(4-fluorophenyl)-1H-3-indolyl]butyl}spiro...)
Show SMILES Fc1ccc(cc1)-n1cc(CCCCN2CCC3(CC2)COCc2ccccc32)c2ccccc12
Show InChI InChI=1S/C31H33FN2O/c32-26-12-14-27(15-13-26)34-21-24(28-9-2-4-11-30(28)34)7-5-6-18-33-19-16-31(17-20-33)23-35-22-25-8-1-3-10-29(25)31/h1-4,8-15,21H,5-7,16-20,22-23H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity towards Sigma receptor site 2 in rat brain using [3H]DTG as radioligand


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50123599
PNG
(ETORPHINE)
Show SMILES CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Show InChI InChI=1/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]naloxone receptor binding to opioid receptor in the presence of 100 mM NaCl


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50226933
PNG
(NALTREXONAZINE | Naltrexonazine)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)\C(CC[C@@]35O)=N\N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35+,36+,37+,38+,39-,40-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMPGO binding was determined using standard binding assay in rat brain homogenates against opioid receptor


J Med Chem 30: 1489-94 (1987)


Article DOI: 10.1021/jm00391a035
BindingDB Entry DOI: 10.7270/Q2S46V6F
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50035145
PNG
(1'-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1...)
Show SMILES C(COC1CCCCC1)CN1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H31NO2/c1-2-8-19(9-3-1)23-16-6-13-22-14-11-21(12-15-22)20-10-5-4-7-18(20)17-24-21/h4-5,7,10,19H,1-3,6,8-9,11-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay.


J Med Chem 38: 2009-17 (1995)


Article DOI: 10.1021/jm00011a020
BindingDB Entry DOI: 10.7270/Q2NS0VKD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224339
PNG
(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=1/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
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.410n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00355a010
BindingDB Entry DOI: 10.7270/Q23X88VD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224336
PNG
(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=1/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
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.410n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00355a010
BindingDB Entry DOI: 10.7270/Q23X88VD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, 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
Show InChI InChI=1/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+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.410n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00355a010
BindingDB Entry DOI: 10.7270/Q23X88VD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, 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
Show InChI InChI=1/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+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.440n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00355a010
BindingDB Entry DOI: 10.7270/Q23X88VD
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50226933
PNG
(NALTREXONAZINE | Naltrexonazine)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)\C(CC[C@@]35O)=N\N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35+,36+,37+,38+,39-,40-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMPGO binding was determined using standard binding assay in rat brain homogenates against opioid receptor


J Med Chem 30: 1489-94 (1987)


Article DOI: 10.1021/jm00391a035
BindingDB Entry DOI: 10.7270/Q2S46V6F
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50226933
PNG
(NALTREXONAZINE | Naltrexonazine)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)\C(CC[C@@]35O)=N\N=C1/CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show InChI InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35+,36+,37+,38+,39-,40-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.470n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMPGO binding was determined using standard binding assay in rat brain homogenates against opioid receptor


J Med Chem 30: 1489-94 (1987)


Article DOI: 10.1021/jm00391a035
BindingDB Entry DOI: 10.7270/Q2S46V6F
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50123599
PNG
(ETORPHINE)
Show SMILES CCC[C@@](C)(O)[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Show InChI InChI=1/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)


J Med Chem 29: 531-7 (1986)


Article DOI: 10.1021/jm00154a018
BindingDB Entry DOI: 10.7270/Q2WH2QKX
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50013209
PNG
(4-Chloro-N-[5-(2-fluoro-phenyl)-1-methyl-2,3-dihyd...)
Show SMILES CN1C(CNC(=O)c2ccc(Cl)cc2)CN=C(c2ccccc2F)c2ccccc12
Show InChI InChI=1/C24H21ClFN3O/c1-29-18(15-28-24(30)16-10-12-17(25)13-11-16)14-27-23(19-6-2-4-8-21(19)26)20-7-3-5-9-22(20)29/h2-13,18H,14-15H2,1H3,(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-CCK-8 to Cholecystokinin type A receptor in rat pancreas


J Med Chem 33: 450-5 (1990)


Article DOI: 10.1021/jm00163a069
BindingDB Entry DOI: 10.7270/Q26M35TN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 807 total )  |  Next  |  Last  >>
Jump to: