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

Found 217 hits with Last Name = 'jales' and Initial = 'ar'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
PubMed
0.0390n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity by displacing [3H]U-69593 to human cloned Kappa opioid receptor transfected into CHO cells using [35S...


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50092998
PNG
(CHEMBL72786 | Derivative of Natrindole)
Show SMILES CCCCC(=N)NCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:22:21:29:17.18.19,16:17:29:21.27.26,30:29:17.18.19:21.27.26|
Show InChI InChI=1S/C32H38N4O3/c1-2-3-4-26(33)34-16-19-7-9-23-21(13-19)22-15-32(38)25-14-20-8-10-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-12-36(25)17-18-5-6-18/h7-10,13,18,25,30,35,37-38H,2-6,11-12,14-17H2,1H3,(H2,33,34)/t25?,30?,31?,32-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.0610n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor kappa 1 by displacing [3H]U-69593


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092999
PNG
(5'-(2-aminoethyl)Natrindole | CHEMBL72885)
Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.120n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50093000
PNG
(CHEMBL70693 | Derivative of Natrindole)
Show SMILES CCCCC(=N)NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:23:22:30:18.19.20,17:18:30:22.28.27,31:30:18.19.20:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,26,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t26?,31?,32?,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.170n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122859
PNG
(22-cyclopropylmethyl-7-[2-(1-iminobutylamino)ethyl...)
Show SMILES CCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C32H38N4O3/c1-2-3-26(33)34-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(37)29-27(20)31(32,30(39-29)28(22)35-23)11-13-36(25)17-19-4-5-19/h6-9,14,19,25,30,35,37-38H,2-5,10-13,15-17H2,1H3,(H2,33,34)/t25?,30-,31-,32+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122869
PNG
(22-cyclopropylmethyl-7-[2-(1-iminopropylamino)ethy...)
Show SMILES CCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H36N4O3/c1-2-25(32)33-11-9-17-5-7-22-20(13-17)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)10-12-35(24)16-18-3-4-18/h5-8,13,18,24,29,34,36-37H,2-4,9-12,14-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.280n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122862
PNG
(22-cyclopropylmethyl-7-[2-(1-iminoethylamino)ethyl...)
Show SMILES CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:14:15:27:19.25.24,33:16:27:19.25.24|
Show InChI InChI=1S/C30H34N4O3/c1-16(31)32-10-8-17-4-6-22-20(12-17)21-14-30(36)24-13-19-5-7-23(35)27-25(19)29(30,28(37-27)26(21)33-22)9-11-34(24)15-18-2-3-18/h4-7,12,18,24,28,33,35-36H,2-3,8-11,13-15H2,1H3,(H2,31,32)/t24?,28-,29-,30+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.290n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50093000
PNG
(CHEMBL70693 | Derivative of Natrindole)
Show SMILES CCCCC(=N)NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:23:22:30:18.19.20,17:18:30:22.28.27,31:30:18.19.20:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,26,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t26?,31?,32?,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor kappa 1 by displacing [3H]U-69593


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381677
PNG
(CHEMBL1256748 | U-69593)
Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122863
PNG
(22-cyclopropylmethyl-7-[2-(1-iminopentylamino)ethy...)
Show SMILES CCCCC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,26,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50249017
PNG
(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-22-11-10-21-17-24-29(33-16-4-7-19-5-2-1-3-6-19)13-12-23(32)27-28(29,25(21)26(22)34-27)14-15-30(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,31H,4,7-9,12-18H2/t24-,27+,28+,29-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.340n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant Opioid receptor kappa 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50248968
PNG
(14beta-Cinnamoyloxy-N-cyclopropylmethyl-7,8-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H29NO5/c31-21-10-9-20-16-23-29(35-24(33)11-8-18-4-2-1-3-5-18)13-12-22(32)27-28(29,25(20)26(21)34-27)14-15-30(23)17-19-6-7-19/h1-5,8-11,19,23,27,31H,6-7,12-17H2/b11-8+/t23-,27+,28+,29-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50249017
PNG
(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-22-11-10-21-17-24-29(33-16-4-7-19-5-2-1-3-6-19)13-12-23(32)27-28(29,25(21)26(22)34-27)14-15-30(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,31H,4,7-9,12-18H2/t24-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.410n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50249017
PNG
(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-22-11-10-21-17-24-29(33-16-4-7-19-5-2-1-3-6-19)13-12-23(32)27-28(29,25(21)26(22)34-27)14-15-30(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,31H,4,7-9,12-18H2/t24-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.480n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122855
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H39N3O4/c1-2-3-4-27(38)34-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(37)30-28(21)32(33,31(40-30)29(23)35-24)12-14-36(26)18-20-5-6-20/h7-10,15,20,26,31,35,37,39H,2-6,11-14,16-18H2,1H3,(H,34,38)/t26?,31-,32-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.680n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.730n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122852
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C32H37N3O4/c1-2-3-26(37)33-12-10-18-6-8-23-21(14-18)22-16-32(38)25-15-20-7-9-24(36)29-27(20)31(32,30(39-29)28(22)34-23)11-13-35(25)17-19-4-5-19/h6-9,14,19,25,30,34,36,38H,2-5,10-13,15-17H2,1H3,(H,33,37)/t25?,30-,31-,32+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.850n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50092999
PNG
(5'-(2-aminoethyl)Natrindole | CHEMBL72885)
Show SMILES NCCc1ccc2[nH]c3C4Oc5c6c(CC7N(CC8CC8)CCC46[C@@]7(O)Cc3c2c1)ccc5O |THB:17:16:24:12.13.14,11:12:24:16.22.21,25:24:12.13.14:16.22.21|
Show InChI InChI=1S/C28H31N3O3/c29-9-7-15-3-5-20-18(11-15)19-13-28(33)22-12-17-4-6-21(32)25-23(17)27(28,26(34-25)24(19)30-20)8-10-31(22)14-16-1-2-16/h3-6,11,16,22,26,30,32-33H,1-2,7-10,12-14,29H2/t22?,26?,27?,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity to CHO cells expressing cloned human Opioid receptor kappa 1 by displacing [3H]U-69593


Bioorg Med Chem Lett 10: 2259-61 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8TRF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027097
PNG
(CHEMBL2113382)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50218796
PNG
(CHEMBL557978 | OXYMORPHINDOLE CHLORIDE | oxymorphi...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50248969
PNG
(14beta-(4-Chlorocinnamoyloxy)-N-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H28ClNO5/c30-20-7-3-17(4-8-20)5-10-24(34)36-29-12-11-22(33)27-28(29)13-14-31(16-18-1-2-18)23(29)15-19-6-9-21(32)26(35-27)25(19)28/h3-10,18,23,27,32H,1-2,11-16H2/b10-5+/t23-,27+,28+,29-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122856
PNG
(22-cyclopropylmethyl-7-(2-imino-2-pentylaminoethyl...)
Show SMILES CCCCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-2-3-4-12-35-27(34)15-20-7-9-24-22(14-20)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)11-13-37(26)18-19-5-6-19/h7-10,14,19,26,31,36,38-39H,2-6,11-13,15-18H2,1H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027102
PNG
(CHEMBL2113377)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C27H31N3O2/c1-3-4-12-28-27-15-18-17-7-5-6-8-19(17)29-23(18)25-26(27)11-13-30(2)21(27)14-16-9-10-20(31)24(32-25)22(16)26/h5-10,21,25,28-29,31H,3-4,11-15H2,1-2H3/t21?,25-,26-,27+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122865
PNG
(22-cyclopropylmethyl-7-[2-(1-imino-3-methylbutylam...)
Show SMILES CC(C)CC(=N)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:17:18:30:22.28.27,36:19:30:22.28.27|
Show InChI InChI=1S/C33H40N4O3/c1-18(2)13-27(34)35-11-9-19-5-7-24-22(14-19)23-16-33(39)26-15-21-6-8-25(38)30-28(21)32(33,31(40-30)29(23)36-24)10-12-37(26)17-20-3-4-20/h5-8,14,18,20,26,31,36,38-39H,3-4,9-13,15-17H2,1-2H3,(H2,34,35)/t26?,31-,32-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122860
PNG
(1N-{2-[22-cyclopropylmethyl-2,16-dihydroxy-14-oxa-...)
Show SMILES CCC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H35N3O4/c1-2-25(36)32-11-9-17-5-7-22-20(13-17)21-15-31(37)24-14-19-6-8-23(35)28-26(19)30(31,29(38-28)27(21)33-22)10-12-34(24)16-18-3-4-18/h5-8,13,18,24,29,33,35,37H,2-4,9-12,14-16H2,1H3,(H,32,36)/t24?,29-,30-,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122864
PNG
(22-cyclopropylmethyl-7-(2-imino-2-propylaminoethyl...)
Show SMILES CCCNC(=N)Cc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:15:16:28:20.26.25,34:17:28:20.26.25|
Show InChI InChI=1S/C31H36N4O3/c1-2-10-33-25(32)13-18-5-7-22-20(12-18)21-15-31(37)24-14-19-6-8-23(36)28-26(19)30(31,29(38-28)27(21)34-22)9-11-35(24)16-17-3-4-17/h5-8,12,17,24,29,34,36-37H,2-4,9-11,13-16H2,1H3,(H2,32,33)/t24?,29-,30-,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027097
PNG
(CHEMBL2113382)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C31H31N3O2/c1-34-16-14-30-26-20-11-12-24(35)28(26)36-29(30)27-22(21-9-5-6-10-23(21)33-27)18-31(30,25(34)17-20)32-15-13-19-7-3-2-4-8-19/h2-12,25,29,32-33,35H,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant Opioid receptor mu 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027100
PNG
(CHEMBL2113378)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCCCc1ccccc1)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C32H33N3O2/c1-35-17-15-31-27-21-13-14-25(36)29(27)37-30(31)28-23(22-11-5-6-12-24(22)34-28)19-32(31,26(35)18-21)33-16-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-14,26,30,33-34,36H,7,10,15-19H2,1H3/t26?,30-,31-,32+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122851
PNG
(7N-(4-methoxybenzyl)-22-cyclopropylmethyl-2,16-dih...)
Show SMILES COc1ccc(CNC(=O)c2ccc3[nH]c4[C@@H]5Oc6c7c(CC8N(CC9CC9)CC[C@@]57[C@@]8(O)Cc4c3c2)ccc6O)cc1 |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C35H35N3O5/c1-42-23-8-4-19(5-9-23)17-36-33(40)22-6-10-26-24(14-22)25-16-35(41)28-15-21-7-11-27(39)31-29(21)34(35,32(43-31)30(25)37-26)12-13-38(28)18-20-2-3-20/h4-11,14,20,28,32,37,39,41H,2-3,12-13,15-18H2,1H3,(H,36,40)/t28?,32-,34-,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50122853
PNG
(7N-phenethyl-22-cyclopropylmethyl-2,16-dihydroxy-1...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(cc2c1C[C@@]35O)C(=O)NCCc1ccccc1 |TLB:17:18:29:7.13.12,3:4:29:7.13.12|
Show InChI InChI=1S/C35H35N3O4/c39-27-11-9-22-17-28-35(41)18-25-24-16-23(33(40)36-14-12-20-4-2-1-3-5-20)8-10-26(24)37-30(25)32-34(35,29(22)31(27)42-32)13-15-38(28)19-21-6-7-21/h1-5,8-11,16,21,28,32,37,39,41H,6-7,12-15,17-19H2,(H,36,40)/t28?,32-,34-,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from human recombinant Opioid receptor kappa 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122857
PNG
(22-cyclopropylmethyl-7-(6-hexylaminocarbonylaminoe...)
Show SMILES CCCCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:20:21:33:25.31.30,39:22:33:25.31.30|
Show InChI InChI=1S/C35H44N4O4/c1-2-3-4-5-14-36-33(41)37-15-12-21-8-10-26-24(17-21)25-19-35(42)28-18-23-9-11-27(40)31-29(23)34(35,32(43-31)30(25)38-26)13-16-39(28)20-22-6-7-22/h8-11,17,22,28,32,38,40,42H,2-7,12-16,18-20H2,1H3,(H2,36,37,41)/t28?,32-,34-,35+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122861
PNG
(22-cyclopropylmethyl-7-(2-ethylaminocarbonylaminoe...)
Show SMILES CCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:16:17:29:21.27.26,35:18:29:21.27.26|
Show InChI InChI=1S/C31H36N4O4/c1-2-32-29(37)33-11-9-17-5-7-22-20(13-17)21-15-31(38)24-14-19-6-8-23(36)27-25(19)30(31,28(39-27)26(21)34-22)10-12-35(24)16-18-3-4-18/h5-8,13,18,24,28,34,36,38H,2-4,9-12,14-16H2,1H3,(H2,32,33,37)/t24?,28-,30-,31+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50248991
PNG
(CHEMBL474755 | N-Cyclopropylmethyl-14beta-cinnamoy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C30H31NO5/c1-34-23-11-10-21-17-24-30(36-25(33)12-9-19-5-3-2-4-6-19)14-13-22(32)28-29(30,26(21)27(23)35-28)15-16-31(24)18-20-7-8-20/h2-6,9-12,20,24,28H,7-8,13-18H2,1H3/b12-9+/t24-,28+,29+,30-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50122866
PNG
(22-cyclopropylmethyl-7-(4-butylaminocarbonylaminoe...)
Show SMILES CCCCNC(=O)NCCc1ccc2[nH]c3[C@@H]4Oc5c6c(CC7N(CC8CC8)CC[C@@]46[C@@]7(O)Cc3c2c1)ccc5O |TLB:18:19:31:23.29.28,37:20:31:23.29.28|
Show InChI InChI=1S/C33H40N4O4/c1-2-3-12-34-31(39)35-13-10-19-6-8-24-22(15-19)23-17-33(40)26-16-21-7-9-25(38)29-27(21)32(33,30(41-29)28(23)36-24)11-14-37(26)18-20-4-5-20/h6-9,15,20,26,30,36,38,40H,2-5,10-14,16-18H2,1H3,(H2,34,35,39)/t26?,30-,32-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Ability to displace [3H]DPDPE from human recombinant Opioid receptor delta 1 in CHO cells


J Med Chem 46: 314-7 (2003)


Article DOI: 10.1021/jm020997b
BindingDB Entry DOI: 10.7270/Q2PK0GW4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027101
PNG
(CHEMBL2113376)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@@]5(N)Cc1c2[nH]c2ccccc12)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C23H23N3O2/c1-26-9-8-22-18-12-6-7-16(27)20(18)28-21(22)19-14(11-23(22,24)17(26)10-12)13-4-2-3-5-15(13)25-19/h2-7,17,21,25,27H,8-11,24H2,1H3/t17?,21-,22-,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 217 total )  |  Next  |  Last  >>
Jump to: