new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 378 hits with Last Name = 'bai' and Initial = 'x'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001023
PNG
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.180n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001019
PNG
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3/t16-,21+,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50349866
PNG
(CHEMBL160296 | CHEMBL1813590 | UNC10108016 | US915...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H31N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032410
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.670n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032410
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.670n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand


J Med Chem 38: 2986-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XK8DMX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036227
PNG
((2S,6S,11S)-3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3/t15-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.670n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036227
PNG
((2S,6S,11S)-3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3/t15-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.670n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against Sigma opioid receptor type 1 using [3H]-(+)-Pentazocine in guinea pig brain membranes


J Med Chem 42: 4621-9 (1999)


BindingDB Entry DOI: 10.7270/Q2T43SBK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50082625
PNG
((2R,6R,11R)-3-Benzyl-11-methyl-1,2,3,4,5,6-hexahyd...)
Show SMILES C[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1 |TLB:14:13:1:9.3.4|
Show InChI InChI=1S/C20H23N/c1-15-18-11-12-21(14-16-7-3-2-4-8-16)20(15)13-17-9-5-6-10-19(17)18/h2-10,15,18,20H,11-14H2,1H3/t15-,18-,20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.960n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against Sigma opioid receptor type 1 using [3H]-(+)-Pentazocine in guinea pig brain membranes


J Med Chem 42: 4621-9 (1999)


BindingDB Entry DOI: 10.7270/Q2T43SBK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036229
PNG
((2S,6S,11S)-3-(4-Fluoro-benzyl)-6,11-dimethyl-1,2,...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(F)cc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C21H24FNO/c1-14-20-11-16-5-8-18(24)12-19(16)21(14,2)9-10-23(20)13-15-3-6-17(22)7-4-15/h3-8,12,14,20,24H,9-11,13H2,1-2H3/t14-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.970n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395569
PNG
(CHEMBL2165119 | UNC10099975 | US9156822, 3 or UNC9...)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036234
PNG
((2S,6S,11S)-3-(2-Fluoro-benzyl)-6,11-dimethyl-1,2,...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccccc1F |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C21H24FNO/c1-14-20-11-15-7-8-17(24)12-18(15)21(14,2)9-10-23(20)13-16-5-3-4-6-19(16)22/h3-8,12,14,20,24H,9-11,13H2,1-2H3/t14-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.45n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032409
PNG
(8-Fluoro-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(F)cc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C19H26FN/c1-13(2)7-9-21-10-8-19(4)14(3)18(21)11-15-5-6-16(20)12-17(15)19/h5-7,12,14,18H,8-11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032406
PNG
(3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-m...)
Show SMILES CC1C2Cc3ccc(N)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H26N2/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14,22H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001036
PNG
(3-(3-Chloro-allyl)-6,11-dimethyl-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1C\C=C\Cl)[C@H]2C |THB:8:9:19:14.12.13,15:14:19:9.3.2|
Show InChI InChI=1S/C17H22ClNO/c1-12-16-10-13-4-5-14(20)11-15(13)17(12,2)6-9-19(16)8-3-7-18/h3-5,7,11-12,16,20H,6,8-10H2,1-2H3/b7-3+/t12-,16+,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036238
PNG
(4-((2S,6S,11S)-8-Hydroxy-6,11-dimethyl-1,2,5,6-tet...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)C#N |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C22H24N2O/c1-15-21-11-18-7-8-19(25)12-20(18)22(15,2)9-10-24(21)14-17-5-3-16(13-23)4-6-17/h3-8,12,15,21,25H,9-11,14H2,1-2H3/t15-,21+,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.53n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032404
PNG
(6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccccc3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:15:14:1:9.3.4,8:9:1:14.12.13|
Show InChI InChI=1S/C19H27N/c1-14(2)9-11-20-12-10-19(4)15(3)18(20)13-16-7-5-6-8-17(16)19/h5-9,15,18H,10-13H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032422
PNG
(3-Benzyl-7-chloro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(O)c(Cl)c3C1(C)CCN2Cc1ccccc1 |TLB:9:11:1:16.14.15,17:16:1:11.4.3|
Show InChI InChI=1S/C21H24ClNO/c1-14-17-12-16-8-9-18(24)20(22)19(16)21(14,2)10-11-23(17)13-15-6-4-3-5-7-15/h3-9,14,17,24H,10-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.72n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand


J Med Chem 38: 2986-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XK8DMX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032426
PNG
(3-Benzyl-7-bromo-6,11-dimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CC1C2Cc3ccc(O)c(Br)c3C1(C)CCN2Cc1ccccc1 |TLB:9:11:1:16.14.15,17:16:1:11.4.3|
Show InChI InChI=1S/C21H24BrNO/c1-14-17-12-16-8-9-18(24)20(22)19(16)21(14,2)10-11-23(17)13-15-6-4-3-5-7-15/h3-9,14,17,24H,10-13H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.75n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand


J Med Chem 38: 2986-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XK8DMX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032407
PNG
((3-Benzyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-...)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2Cc1ccccc1)N(C)C |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C23H30N2/c1-17-22-14-19-10-11-20(24(3)4)15-21(19)23(17,2)12-13-25(22)16-18-8-6-5-7-9-18/h5-11,15,17,22H,12-14,16H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036241
PNG
((2S,6S,11S)-6,11-Dimethyl-3-(4-methyl-benzyl)-1,2,...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(C)cc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C22H27NO/c1-15-4-6-17(7-5-15)14-23-11-10-22(3)16(2)21(23)12-18-8-9-19(24)13-20(18)22/h4-9,13,16,21,24H,10-12,14H2,1-3H3/t16-,21+,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.08n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036231
PNG
((2S,6S,11S)-6,11-Dimethyl-3-(4-nitro-benzyl)-1,2,3...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(cc1)[N+]([O-])=O |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C21H24N2O3/c1-14-20-11-16-5-8-18(24)12-19(16)21(14,2)9-10-22(20)13-15-3-6-17(7-4-15)23(25)26/h3-8,12,14,20,24H,9-11,13H2,1-2H3/t14-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036230
PNG
((2S,6S,11S)-3-(4-Chloro-benzyl)-6,11-dimethyl-1,2,...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(Cl)cc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C21H24ClNO/c1-14-20-11-16-5-8-18(24)12-19(16)21(14,2)9-10-23(20)13-15-3-6-17(22)7-4-15/h3-8,12,14,20,24H,9-11,13H2,1-2H3/t14-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.37n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032425
PNG
(7-Bromo-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])c(Br)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:9:11:1:16.14.15,17:16:1:11.4.3|
Show InChI InChI=1S/C19H26BrNO/c1-12(2)7-9-21-10-8-19(4)13(3)15(21)11-14-5-6-16(22)18(20)17(14)19/h5-7,13,15,22H,8-11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.49n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand


J Med Chem 38: 2986-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XK8DMX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032423
PNG
(7-Chloro-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2...)
Show SMILES [#6]-[#6]1-[#6]-2-[#6]-c3ccc(-[#8])c(Cl)c3C1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |TLB:9:11:1:16.14.15,17:16:1:11.4.3|
Show InChI InChI=1S/C19H26ClNO/c1-12(2)7-9-21-10-8-19(4)13(3)15(21)11-14-5-6-16(22)18(20)17(14)19/h5-7,13,15,22H,8-11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.62n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand


J Med Chem 38: 2986-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XK8DMX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395567
PNG
(CHEMBL443034)
Show SMILES CCOc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C25H33N3O3/c1-2-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21/h3-4,7-9,11,19H,2,5-6,10,12-18H2,1H3,(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.80n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036233
PNG
((2S,6S,11S)-3-(4-Methoxy-benzyl)-6,11-dimethyl-1,2...)
Show SMILES COc1ccc(CN2CC[C@@]3(C)[C@H](C)[C@@H]2Cc2ccc(O)cc32)cc1 |TLB:6:7:12:22.16.15|
Show InChI InChI=1S/C22H27NO2/c1-15-21-12-17-6-7-18(24)13-20(17)22(15,2)10-11-23(21)14-16-4-8-19(25-3)9-5-16/h4-9,13,15,21,24H,10-12,14H2,1-3H3/t15-,21+,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.89n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395562
PNG
(CHEMBL160921)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3ccccc3C#N)cc2N1
Show InChI InChI=1S/C24H28N4O2/c25-18-20-5-1-2-6-23(20)28-14-12-27(13-15-28)11-3-4-16-30-21-9-7-19-8-10-24(29)26-22(19)17-21/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001039
PNG
(6,11-Dimethyl-3-(1-methyl-allyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@](C)(C=C)N1CC[C@@]2(C)[C@@H](C)[C@@]1([H])Cc1ccc(O)cc21 |TLB:1:5:10:21.14.15,THB:20:21:10:5.7.6|
Show InChI InChI=1S/C18H25NO/c1-5-12(2)19-9-8-18(4)13(3)17(19)10-14-6-7-15(20)11-16(14)18/h5-7,11-13,17,20H,1,8-10H2,2-4H3/t12-,13-,17+,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
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:16:15:10.4.3:1|
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+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395566
PNG
(CHEMBL2165121)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C26H35N3O3/c1-20(2)32-25-8-4-3-7-24(25)29-16-14-28(15-17-29)13-5-6-18-31-22-11-9-21-10-12-26(30)27-23(21)19-22/h3-4,7-9,11,19-20H,5-6,10,12-18H2,1-2H3,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.10n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
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:16:15:10.4.3:1|
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+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured on Sigma receptor type 1 using [3H]- pentazocine as radioligand


J Med Chem 38: 2986-9 (1995)


BindingDB Entry DOI: 10.7270/Q2XK8DMX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
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:16:15:10.4.3:1|
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+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
PubMed
3.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against Sigma opioid receptor type 1 using [3H]-(+)-Pentazocine in guinea pig brain membranes


J Med Chem 42: 4621-9 (1999)


BindingDB Entry DOI: 10.7270/Q2T43SBK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036239
PNG
((2S,6S,11S)-3-(4-Bromo-benzyl)-6,11-dimethyl-1,2,3...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(Br)cc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C21H24BrNO/c1-14-20-11-16-5-8-18(24)12-19(16)21(14,2)9-10-23(20)13-15-3-6-17(22)7-4-15/h3-8,12,14,20,24H,9-11,13H2,1-2H3/t14-,20+,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at Sigma receptor type 1, displacement of [3H]-(+)-pentazocine from guinea pig brain membranes


J Med Chem 38: 565-9 (1995)


BindingDB Entry DOI: 10.7270/Q2X63M0N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50082624
PNG
((2R,6R,11R)-3-Benzyl-11-ethyl-1,2,3,4,5,6-hexahydr...)
Show SMILES CC[C@H]1[C@H]2Cc3ccccc3[C@@H]1CCN2Cc1ccccc1 |TLB:15:14:2:10.4.5|
Show InChI InChI=1S/C21H25N/c1-2-18-20-12-13-22(15-16-8-4-3-5-9-16)21(18)14-17-10-6-7-11-19(17)20/h3-11,18,20-21H,2,12-15H2,1H3/t18-,20-,21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.36n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against Sigma opioid receptor type 1 using [3H]-(+)-Pentazocine in guinea pig brain membranes


J Med Chem 42: 4621-9 (1999)


BindingDB Entry DOI: 10.7270/Q2T43SBK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395568
PNG
(CHEMBL2165120 | UNC10099978 | US9156822, 4)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-10,17H,1-2,4,11-16H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343260
PNG
(7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C22H26Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-5,7,9H,1-2,6,8,10-15H2,(H,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001031
PNG
(3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-me...)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
3.60n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.60n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395563
PNG
(CHEMBL157923)
Show SMILES Clc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H28ClN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.70n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50032401
PNG
(3-Benzyl-8-fluoro-6,11-dimethyl-1,2,3,4,5,6-hexahy...)
Show SMILES CC1C2Cc3ccc(F)cc3C1(C)CCN2Cc1ccccc1 |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
Show InChI InChI=1S/C21H24FN/c1-15-20-12-17-8-9-18(22)13-19(17)21(15,2)10-11-23(20)14-16-6-4-3-5-7-16/h3-9,13,15,20H,10-12,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity measured on Sigma receptor type 1 from guinea pig brain membranes using [3H]pentazocine as radioligand.


J Med Chem 38: 2978-85 (1995)


BindingDB Entry DOI: 10.7270/Q2V988RP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001046
PNG
(6,11-Dimethyl-3-(4-phenyl-butyl)-1,2,3,4,5,6-hexah...)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@](C)(CCN1CCCCc1ccccc1)[C@H]2C |THB:8:9:25:14.12.13,15:14:25:9.3.2|
Show InChI InChI=1S/C24H31NO/c1-18-23-16-20-11-12-21(26)17-22(20)24(18,2)13-15-25(23)14-7-6-10-19-8-4-3-5-9-19/h3-5,8-9,11-12,17-18,23,26H,6-7,10,13-16H2,1-2H3/t18-,23+,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-DAMGO as radioligand.


J Med Chem 35: 2812-8 (1992)


BindingDB Entry DOI: 10.7270/Q29W0G3H
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 378 total )  |  Next  |  Last  >>
Jump to: