Found 19 hits of ec50 for UniProtKB: Q9R0C9 Target/Host
(Institution) | Ligand | Target/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 | 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) | BDBM50367061
(NALORPHINE | NALORPHINE HYDROCHLORIDE)Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17| Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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
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 | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225933
(CHEMBL2310921)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](NC(=O)\C=C\C(=O)OC)C2(OC)C=C1)ccc3O |r,wU:23.26,22.21,7.5,wD:25.28,13.12,c:42,THB:26:25:22.7:39.38,16:15:23:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;.4,-3.16,;.79,-1.68,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-3.91,-4.04,;-5.25,-6.35,;-3.91,-7.12,;-3.91,-8.66,;-5.25,-9.43,;-2.58,-9.43,;-2.58,-10.97,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C28H32N2O6.C2H2O4/c1-34-22(33)8-7-21(32)29-19-14-26-9-10-28(19,35-2)25-27(26)11-12-30(15-16-3-4-16)20(26)13-17-5-6-18(31)24(36-25)23(17)27;3-1(4)2(5)6/h5-10,16,19-20,25,31H,3-4,11-15H2,1-2H3,(H,29,32);(H,3,4)(H,5,6)/b8-7+;/t19-,20+,25+,26+,27-,28?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225937
(CHEMBL3038189)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](N)[C@]2(OC)C=C1)ccc3O |wU:16.16,1.0,wD:17.30,21.26,19.23,7.7,c:29,THB:10:9:17:4.5.6,(6.14,-10.09,;6.66,-8.29,;4.41,-8.23,;4.01,-6.75,;5.33,-5.99,;5.33,-4.44,;6.67,-3.66,;8.01,-4.44,;9.49,-4.84,;9.33,-3.67,;10.29,-2.46,;11.8,-2.71,;12.98,-3.66,;13.22,-2.15,;8.83,-5.24,;6.66,-5.22,;6.67,-6.75,;8.01,-5.99,;9.35,-6.76,;9.33,-8.32,;10.86,-8.32,;7.98,-9.08,;7.81,-10.59,;6.38,-11.19,;8.35,-7.56,;7.61,-7.47,;4.01,-3.67,;2.69,-4.46,;2.69,-5.99,;1.37,-6.73,)| Show InChI InChI=1S/C23H28N2O3/c1-27-23-7-6-21(11-16(23)24)17-10-14-4-5-15(26)19-18(14)22(21,20(23)28-19)8-9-25(17)12-13-2-3-13/h4-7,13,16-17,20,26H,2-3,8-12,24H2,1H3/t16-,17+,20+,21+,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225936
(CHEMBL3038190)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](NC(=O)CBr)[C@]2(OC)C=C1)ccc3O |wU:16.16,1.0,wD:17.34,19.23,25.30,7.7,c:33,THB:10:9:17:4.5.6,(6.14,-10.1,;6.67,-8.3,;4.41,-8.24,;4.02,-6.76,;5.34,-6,;5.34,-4.44,;6.68,-3.67,;8.02,-4.44,;9.5,-4.84,;9.35,-3.68,;10.3,-2.47,;11.81,-2.71,;12.99,-3.67,;13.24,-2.15,;8.84,-5.24,;6.67,-5.23,;6.68,-6.76,;8.02,-6,;9.36,-6.77,;9.35,-8.33,;10.88,-8.33,;11.88,-9.45,;11.4,-10.92,;13.38,-9.15,;14.4,-10.28,;7.99,-9.09,;7.81,-10.6,;6.39,-11.21,;8.36,-7.57,;7.62,-7.47,;4.02,-3.68,;2.69,-4.47,;2.69,-6,;1.37,-6.74,)| Show InChI InChI=1S/C25H29BrN2O4/c1-31-25-7-6-23(11-17(25)27-19(30)12-26)18-10-15-4-5-16(29)21-20(15)24(23,22(25)32-21)8-9-28(18)13-14-2-3-14/h4-7,14,17-18,22,29H,2-3,8-13H2,1H3,(H,27,30)/t17-,18+,22+,23+,24-,25+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225935
(CHEMBL2310915)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](N=S)C2(OC)C=C1)ccc3O |r,wU:23.26,22.21,7.5,wD:25.28,13.12,c:35,THB:26:25:22.7:32.31,16:15:23:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;.4,-3.16,;.79,-1.68,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C23H26N2O3S.C2H2O4/c1-27-23-7-6-21(11-16(23)24-29)17-10-14-4-5-15(26)19-18(14)22(21,20(23)28-19)8-9-25(17)12-13-2-3-13;3-1(4)2(5)6/h4-7,13,16-17,20,26H,2-3,8-12H2,1H3;(H,3,4)(H,5,6)/t16-,17+,20+,21+,22-,23?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225940
(CHEMBL2310917)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]51C[C@H](N)C2(OC)C=C1)ccc3O |r,wU:22.24,21.19,7.5,wD:24.26,13.12,c:32,THB:25:24:21.7:30.29,16:15:22:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;-.29,-3.56,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C22H26N2O3.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,12-15(22)23)16(24)11-13;3-1(4)2(5)6/h3-7,15-16,19,25H,1,8-12,23H2,2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225932
(CHEMBL2310918)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]51C[C@H](NC(=O)CBr)C2(OC)C=C1)ccc3O |r,wU:22.24,21.19,7.5,wD:24.26,13.12,c:36,THB:25:24:21.7:34.33,16:15:22:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;-.29,-3.56,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-3.91,-4.04,;-5.25,-6.35,;-3.91,-7.12,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C24H27BrN2O4.C2H2O4/c1-3-9-27-10-8-23-19-14-4-5-15(28)20(19)31-21(23)24(30-2)7-6-22(23,17(27)11-14)12-16(24)26-18(29)13-25;3-1(4)2(5)6/h3-7,16-17,21,28H,1,8-13H2,2H3,(H,26,29);(H,3,4)(H,5,6)/t16-,17+,21+,22+,23-,24?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225942
(CHEMBL2310916)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]51C[C@H](NC(=O)\C=C\C(=O)OC)C2(OC)C=C1)ccc3O |r,wU:22.24,21.19,7.5,wD:24.26,13.12,c:40,THB:25:24:21.7:38.37,16:15:22:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;-.29,-3.56,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-3.91,-4.04,;-5.25,-6.35,;-3.76,-6.75,;-3.36,-8.24,;-4.45,-9.32,;-1.87,-8.63,;-1.47,-10.12,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C27H30N2O6.C2H2O4/c1-4-12-29-13-11-26-22-16-5-6-17(30)23(22)35-24(26)27(34-3)10-9-25(26,19(29)14-16)15-18(27)28-20(31)7-8-21(32)33-2;3-1(4)2(5)6/h4-10,18-19,24,30H,1,11-15H2,2-3H3,(H,28,31);(H,3,4)(H,5,6)/b8-7+;/t18-,19+,24+,25+,26-,27?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225934
(CHEMBL2310922)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@]51C[C@H](N)C2(OC)C=C1)ccc3O |r,wU:22.24,21.19,7.5,wD:24.26,13.12,c:32,THB:25:24:21.7:30.29,16:15:22:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;.4,-3.16,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C22H28N2O3.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,12-15(22)23)16(24)11-13;3-1(4)2(5)6/h4-7,15-16,19,25H,3,8-12,23H2,1-2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225938
(CHEMBL2310919)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@]51C[C@H](N=S)C2(OC)C=C1)ccc3O |r,wU:22.24,21.19,7.5,wD:24.26,13.12,c:33,THB:25:24:21.7:31.30,16:15:22:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;-.29,-3.56,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C22H24N2O3S.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,16(24)11-13)12-15(22)23-28;3-1(4)2(5)6/h3-7,15-16,19,25H,1,8-12H2,2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225941
(CHEMBL2310920)Show SMILES OC(=O)C(O)=O.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@]51C[C@H](N=S)C2(OC)C=C1)ccc3O |r,wU:22.24,21.19,7.5,wD:24.26,13.12,c:33,THB:25:24:21.7:31.30,16:15:22:10.11.12,(1.76,5.46,;2.53,4.13,;4.07,4.13,;1.76,2.8,;.22,2.8,;2.53,1.46,;-9.74,-.57,;-7.91,-.19,;-8.68,1.56,;-7.91,2.89,;-6.58,2.12,;-5.25,2.89,;-3.91,2.12,;-3.91,.58,;-2.3,1.51,;-2.58,-.19,;-2.18,-1.68,;-.69,-2.08,;-.29,-3.56,;-2.58,1.35,;-5.49,1.67,;-6.58,.58,;-5.25,-.19,;-5.25,-1.73,;-6.58,-2.5,;-6.58,-4.04,;-5.25,-4.81,;-7.91,-1.73,;-9.25,-2.5,;-9.25,-4.04,;-6.34,-2.08,;-6.73,-.59,;-5.25,4.43,;-6.58,5.2,;-7.91,4.43,;-9.25,5.2,)| Show InChI InChI=1S/C22H26N2O3S.C2H2O4/c1-3-9-24-10-8-21-17-13-4-5-14(25)18(17)27-19(21)22(26-2)7-6-20(21,16(24)11-13)12-15(22)23-28;3-1(4)2(5)6/h4-7,15-16,19,25H,3,8-12H2,1-2H3;(H,3,4)(H,5,6)/t15-,16+,19+,20+,21-,22?;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225939
(CHEMBL3038192)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@]51C[C@H](NC(=O)CBr)[C@]2(OC)C=C1)ccc3O |wU:15.14,1.0,wD:16.32,18.21,24.28,7.7,c:31,THB:10:9:16:4.5.6,(6.14,-10.09,;6.66,-8.29,;4.41,-8.23,;4.01,-6.75,;5.33,-5.99,;5.33,-4.44,;6.67,-3.66,;8.01,-4.44,;9.49,-4.84,;9.33,-3.67,;10.29,-2.46,;11.8,-2.71,;12.75,-1.51,;8.83,-5.24,;6.66,-5.22,;6.67,-6.75,;8.01,-5.99,;9.35,-6.76,;9.33,-8.32,;10.86,-8.32,;11.86,-9.44,;11.38,-10.91,;13.36,-9.14,;14.38,-10.27,;7.98,-9.08,;7.81,-10.59,;6.38,-11.19,;8.35,-7.56,;7.61,-7.47,;4.01,-3.67,;2.69,-4.46,;2.69,-5.99,;1.37,-6.73,)| Show InChI InChI=1S/C24H29BrN2O4/c1-3-9-27-10-8-23-19-14-4-5-15(28)20(19)31-21(23)24(30-2)7-6-22(23,17(27)11-14)12-16(24)26-18(29)13-25/h4-7,16-17,21,28H,3,8-13H2,1-2H3,(H,26,29)/t16-,17+,21+,22+,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
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) | BDBM50225931
(CHEMBL3038191)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@]51C[C@H](NC(=O)\C=C\C(=O)OC)[C@]2(OC)C=C1)ccc3O |wU:15.14,1.0,wD:16.36,18.21,28.32,7.7,c:35,THB:10:9:16:4.5.6,(6.15,-10.1,;6.67,-8.31,;4.41,-8.24,;4.02,-6.76,;5.34,-6,;5.34,-4.45,;6.68,-3.67,;8.02,-4.45,;9.56,-4.45,;9.35,-3.68,;10.31,-2.47,;11.82,-2.71,;12.77,-1.51,;8.84,-5.24,;6.67,-5.23,;6.68,-6.76,;8.02,-6,;9.36,-6.77,;9.35,-8.33,;10.88,-8.33,;11.88,-9.45,;11.4,-10.92,;13.38,-9.16,;13.88,-7.7,;15.38,-7.38,;15.86,-5.93,;16.38,-8.53,;17.88,-8.21,;7.99,-9.09,;7.82,-10.6,;6.39,-11.21,;8.36,-7.57,;7.63,-7.48,;4.02,-3.68,;2.69,-4.47,;2.69,-6,;1.37,-6.74,)| Show InChI InChI=1S/C27H32N2O6/c1-4-12-29-13-11-26-22-16-5-6-17(30)23(22)35-24(26)27(34-3)10-9-25(26,19(29)14-16)15-18(27)28-20(31)7-8-21(32)33-2/h5-10,18-19,24,30H,4,11-15H2,1-3H3,(H,28,31)/b8-7+/t18-,19+,24+,25+,26-,27+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]dalamid ([D-Ala2,Met5] enkephalinamide) from opioid receptors of rat brain membrane |
J Med Chem 29: 2136-41 (1986)
BindingDB Entry DOI: 10.7270/Q2GX4DRM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50170660
(CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...)Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a |
Universit£ di Bari
Curated by ChEMBL
| Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay |
J Med Chem 48: 8237-44 (2005)
Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50179277
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-3,3-dimethyl...)Show InChI InChI=1S/C22H31NO/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a |
Universit£ di Bari
Curated by ChEMBL
| Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay |
J Med Chem 48: 8237-44 (2005)
Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50179271
(1-(4-(6-methoxynaphthalen-1-yl)butyl)piperidine | ...)Show InChI InChI=1S/C20H27NO/c1-22-19-11-12-20-17(9-7-10-18(20)16-19)8-3-6-15-21-13-4-2-5-14-21/h7,9-12,16H,2-6,8,13-15H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.94E+4 | n/a | n/a | n/a | n/a |
Universit£ di Bari
Curated by ChEMBL
| Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay |
J Med Chem 48: 8237-44 (2005)
Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50179280
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-4-methylpipe...)Show InChI InChI=1S/C21H29NO/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.55E+4 | n/a | n/a | n/a | n/a |
Universit£ di Bari
Curated by ChEMBL
| Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay |
J Med Chem 48: 8237-44 (2005)
Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50179260
(1-(3-(6-methoxynaphthalen-1-yl)propyl)-3,3-dimethy...)Show InChI InChI=1S/C21H29NO/c1-21(2)12-6-14-22(16-21)13-5-9-17-7-4-8-18-15-19(23-3)10-11-20(17)18/h4,7-8,10-11,15H,5-6,9,12-14,16H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.02E+4 | n/a | n/a | n/a | n/a |
Universit£ di Bari
Curated by ChEMBL
| Assay Description
Antiproliferative activity mediated by sigma 1 receptor in rat C6 glioma cells by MTT assay |
J Med Chem 48: 8237-44 (2005)
Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J |
More data for this
Ligand-Target Pair | |
Search and Browse
