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Compile Data Set for Download or QSAR

Found 291 hits with Last Name = 'frietze' and Initial = 'w'   
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
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222124
PNG
(CHEMBL97340)
Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(OC)cc1C
Show InChI InChI=1S/C22H27N3O/c1-5-19(15-7-8-15)25-20(6-2)24-21-18(11-12-23-22(21)25)17-10-9-16(26-4)13-14(17)3/h9-13,15,19H,5-8H2,1-4H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222115
PNG
(CHEMBL100157)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O/c1-5-7-12(3)27-15(6-2)25-17-13(10-11-24-19(17)27)14-8-9-16(28-4)26-18(14)20(21,22)23/h8-12H,5-7H2,1-4H3
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0.600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222119
PNG
(CHEMBL316624)
Show SMILES CCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O/c1-5-11(3)26-14(6-2)24-16-12(9-10-23-18(16)26)13-7-8-15(27-4)25-17(13)19(20,21)22/h7-11H,5-6H2,1-4H3
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222117
PNG
(CHEMBL328163)
Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C(F)(F)F
Show InChI InChI=1S/C21H23F3N4O/c1-4-15(12-6-7-12)28-16(5-2)26-18-13(10-11-25-20(18)28)14-8-9-17(29-3)27-19(14)21(22,23)24/h8-12,15H,4-7H2,1-3H3
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50007400
PNG
(4-Phenyl-1-(4-phenyl-butyl)-piperidine | 4-Phenyl-...)
Show SMILES C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2
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1n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222122
PNG
(CHEMBL99286)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OC)nc1C
Show InChI InChI=1S/C20H26N4O/c1-6-8-13(3)24-17(7-2)23-19-16(11-12-21-20(19)24)15-9-10-18(25-5)22-14(15)4/h9-13H,6-8H2,1-5H3
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1.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222120
PNG
(CHEMBL420442)
Show SMILES CCc1nc2c(ncnc2n1C(C1CC1)C1CC1)-c1ccc(OC)nc1C
Show InChI InChI=1S/C21H25N5O/c1-4-16-25-19-18(15-9-10-17(27-3)24-12(15)2)22-11-23-21(19)26(16)20(13-5-6-13)14-7-8-14/h9-11,13-14,20H,4-8H2,1-3H3
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1.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222112
PNG
(CHEMBL98093)
Show SMILES CCc1nc2c(ccnc2n1C(C)C1CC1)-c1ccc(OC)nc1C
Show InChI InChI=1S/C20H24N4O/c1-5-17-23-19-16(15-8-9-18(25-4)22-12(15)2)10-11-21-20(19)24(17)13(3)14-6-7-14/h8-11,13-14H,5-7H2,1-4H3
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222123
PNG
(CHEMBL99239)
Show SMILES CCc1nc2c(ccnc2n1C(C)C1CCC1)-c1ccc(OC)nc1C
Show InChI InChI=1S/C21H26N4O/c1-5-18-24-20-17(16-9-10-19(26-4)23-13(16)2)11-12-22-21(20)25(18)14(3)15-7-6-8-15/h9-12,14-15H,5-8H2,1-4H3
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2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222116
PNG
(CHEMBL318051)
Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(Cl)nc1C
Show InChI InChI=1S/C20H23ClN4/c1-4-16(13-6-7-13)25-18(5-2)24-19-15(10-11-22-20(19)25)14-8-9-17(21)23-12(14)3/h8-11,13,16H,4-7H2,1-3H3
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3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222121
PNG
(CHEMBL99098)
Show SMILES CCC(C1CC1)n1c(CC)nc2c(ccnc12)-c1ccc(nc1C)N(C)C
Show InChI InChI=1S/C22H29N5/c1-6-18(15-8-9-15)27-19(7-2)25-21-17(12-13-23-22(21)27)16-10-11-20(26(4)5)24-14(16)3/h10-13,15,18H,6-9H2,1-5H3
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7.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
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10n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50002245
PNG
(4-[2-(1-Cyclopropylmethyl-piperidin-4-yl)-acetyl]-...)
Show SMILES O=C(CC1CCN(CC2CC2)CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H22N2O/c19-12-15-3-5-17(6-4-15)18(21)11-14-7-9-20(10-8-14)13-16-1-2-16/h3-6,14,16H,1-2,7-11,13H2
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10n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222118
PNG
(CHEMBL99093)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(OCCO)nc1C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O2/c1-4-6-13(3)28-16(5-2)26-18-14(9-10-25-20(18)28)15-7-8-17(30-12-11-29)27-19(15)21(22,23)24/h7-10,13,29H,4-6,11-12H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222114
PNG
(CHEMBL319945)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1cnc(OC)cc1C
Show InChI InChI=1S/C20H26N4O/c1-6-8-14(4)24-17(7-2)23-19-15(9-10-21-20(19)24)16-12-22-18(25-5)11-13(16)3/h9-12,14H,6-8H2,1-5H3
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50002245
PNG
(4-[2-(1-Cyclopropylmethyl-piperidin-4-yl)-acetyl]-...)
Show SMILES O=C(CC1CCN(CC2CC2)CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H22N2O/c19-12-15-3-5-17(6-4-15)18(21)11-14-7-9-20(10-8-14)13-16-1-2-16/h3-6,14,16H,1-2,7-11,13H2
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>1.00E+3n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat)-RAT)
BDBM50222111
PNG
(CHEMBL99097)
Show SMILES CCCC(C)n1c(CC)nc2c(ccnc12)-c1ccc(O)nc1C
Show InChI InChI=1S/C19H24N4O/c1-5-7-12(3)23-16(6-2)22-18-15(10-11-20-19(18)23)14-8-9-17(24)21-13(14)4/h8-12H,5-7H2,1-4H3,(H,21,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity at Corticotropin releasing factor receptor of rat cortical homogenates.


Bioorg Med Chem Lett 13: 289-91 (2003)


Article DOI: 10.1016/s0960-894x(02)00835-1
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362312
PNG
(CHEMBL1939740)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccccn2)CC1)c1cccc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C32H39N5O2/c1-3-36(4-2)32(39)26-15-11-24(12-16-26)30(27-8-7-10-28(22-27)34-31(38)25-13-14-25)37-20-18-35(19-21-37)23-29-9-5-6-17-33-29/h5-12,15-17,22,25,30H,3-4,13-14,18-21,23H2,1-2H3,(H,34,38)/t30-/m1/s1
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n/an/a 0.0680n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362304
PNG
(CHEMBL1939746)
Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)31-29(36)37-6-3)34-16-14-32(15-17-34)19-26-20-38-21-30-26/h7-13,18,20-21,27H,4-6,14-17,19H2,1-3H3,(H,31,36)/t27-/m1/s1
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n/an/a 0.0710n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363338
PNG
(CHEMBL1946023)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)OC)c1
Show InChI InChI=1S/C32H36FN3O3/c1-4-36(5-2)31(37)26-13-11-24(12-14-26)30(27-7-6-8-29(21-27)34-32(38)39-3)25-17-19-35(20-18-25)22-23-9-15-28(33)16-10-23/h6-16,21H,4-5,17-20,22H2,1-3H3,(H,34,38)
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n/an/a 0.0820n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362299
PNG
(CHEMBL1939751)
Show SMILES CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccc(NC(=O)OC)c1
Show InChI InChI=1S/C27H33N5O3S/c1-4-30(2)26(33)21-10-8-20(9-11-21)25(22-6-5-7-23(16-22)29-27(34)35-3)32-14-12-31(13-15-32)17-24-18-36-19-28-24/h5-11,16,18-19,25H,4,12-15,17H2,1-3H3,(H,29,34)/t25-/m1/s1
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n/an/a 0.0940n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363340
PNG
(CHEMBL1946025)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C30H32N4OS/c1-3-34(4-2)30(35)25-12-10-22(11-13-25)28(27-9-5-7-24-8-6-16-31-29(24)27)23-14-17-33(18-15-23)19-26-20-36-21-32-26/h5-13,16,20-21H,3-4,14-15,17-19H2,1-2H3
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n/an/a 0.160n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363344
PNG
(CHEMBL1946029)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C28H28N4OS/c1-31(2)28(33)23-10-8-20(9-11-23)26(25-7-3-5-22-6-4-14-29-27(22)25)21-12-15-32(16-13-21)17-24-18-34-19-30-24/h3-11,14,18-19H,12-13,15-17H2,1-2H3
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n/an/a 0.170n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363330
PNG
(CHEMBL1946016)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccccn1
Show InChI InChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)25-12-10-23(11-13-25)28(27-7-5-6-18-31-27)24-16-19-32(20-17-24)21-22-8-14-26(30)15-9-22/h5-15,18H,3-4,16-17,19-21H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363341
PNG
(CHEMBL1946026)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C30H30N4OS/c35-30(34-15-1-2-16-34)25-10-8-22(9-11-25)28(27-7-3-5-24-6-4-14-31-29(24)27)23-12-17-33(18-13-23)19-26-20-36-21-32-26/h3-11,14,20-21H,1-2,12-13,15-19H2
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363335
PNG
(CHEMBL1946020)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)27-13-11-25(12-14-27)31(28-7-6-8-30(21-28)34-23(3)37)26-17-19-35(20-18-26)22-24-9-15-29(33)16-10-24/h6-16,21H,4-5,17-20,22H2,1-3H3,(H,34,37)
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n/an/a 0.220n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363336
PNG
(CHEMBL1946021)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C32H36FN3O2/c1-4-36(5-2)32(38)28-10-8-25(9-11-28)31(26-12-16-30(17-13-26)34-23(3)37)27-18-20-35(21-19-27)22-24-6-14-29(33)15-7-24/h6-17H,4-5,18-22H2,1-3H3,(H,34,37)
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n/an/a 0.25n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50058855
PNG
((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...)
Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O
Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1
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n/an/a 0.25n/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]fibrinogen binding to purified platelet Fibrinogen Receptor


J Med Chem 40: 2064-84 (1997)


Article DOI: 10.1021/jm960799i
BindingDB Entry DOI: 10.7270/Q2DB82HC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362301
PNG
(CHEMBL1939749)
Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2[nH]cnc2C)CC1)c1ccc(cc1)C(=O)N(C)CC
Show InChI InChI=1S/C29H38N6O3/c1-5-33(4)28(36)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)32-29(37)38-6-2)35-16-14-34(15-17-35)19-26-21(3)30-20-31-26/h7-13,18,20,27H,5-6,14-17,19H2,1-4H3,(H,30,31)(H,32,37)/t27-/m1/s1
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n/an/a 0.260n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363333
PNG
(CHEMBL1944652)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C33H34FN3O/c1-3-37(4-2)33(38)28-14-12-25(13-15-28)31(30-9-5-7-27-8-6-20-35-32(27)30)26-18-21-36(22-19-26)23-24-10-16-29(34)17-11-24/h5-17,20H,3-4,18-19,21-23H2,1-2H3
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n/an/a 0.260n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363342
PNG
(CHEMBL1946027)
Show SMILES CCN(C)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C29H30N4OS/c1-3-32(2)29(34)24-11-9-21(10-12-24)27(26-8-4-6-23-7-5-15-30-28(23)26)22-13-16-33(17-14-22)18-25-19-35-20-31-25/h4-12,15,19-20H,3,13-14,16-18H2,1-2H3
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n/an/a 0.270n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362293
PNG
(CHEMBL1939738)
Show SMILES CN(CCO)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C32H37FN4O3/c1-35(19-20-38)32(40)26-11-7-24(8-12-26)30(27-3-2-4-29(21-27)34-31(39)25-9-10-25)37-17-15-36(16-18-37)22-23-5-13-28(33)14-6-23/h2-8,11-14,21,25,30,38H,9-10,15-20,22H2,1H3,(H,34,39)/t30-/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363348
PNG
(CHEMBL1946618)
Show SMILES CN(CCO)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3
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n/an/a 0.280n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362294
PNG
(CHEMBL1939737)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2ccc(F)cc2)CC1)c1cccc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C33H39FN4O2/c1-3-37(4-2)33(40)27-14-10-25(11-15-27)31(28-6-5-7-30(22-28)35-32(39)26-12-13-26)38-20-18-36(19-21-38)23-24-8-16-29(34)17-9-24/h5-11,14-17,22,26,31H,3-4,12-13,18-21,23H2,1-2H3,(H,35,39)/t31-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362307
PNG
(CHEMBL1939736)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cncs2)CC1)c1cccc(NC(=O)OC)c1
Show InChI InChI=1S/C28H35N5O3S/c1-4-32(5-2)27(34)22-11-9-21(10-12-22)26(23-7-6-8-24(17-23)30-28(35)36-3)33-15-13-31(14-16-33)19-25-18-29-20-37-25/h6-12,17-18,20,26H,4-5,13-16,19H2,1-3H3,(H,30,35)/t26-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363343
PNG
(CHEMBL1946028)
Show SMILES O=C(N1CCC1)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C29H28N4OS/c34-29(33-14-3-15-33)24-9-7-21(8-10-24)27(26-6-1-4-23-5-2-13-30-28(23)26)22-11-16-32(17-12-22)18-25-19-35-20-31-25/h1-2,4-10,13,19-20H,3,11-12,14-18H2
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n/an/a 0.390n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50092711
PNG
(CHEMBL339457 | N,N-Diethyl-4-[(3-fluoro-phenyl)-pi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCNCC1)c1cccc(F)c1
Show InChI InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3
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n/an/a 0.440n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363334
PNG
(CHEMBL1946019)
Show SMILES CCN(C)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1NC(C)=O
Show InChI InChI=1S/C31H34FN3O2/c1-4-34(3)31(37)26-13-11-24(12-14-26)30(28-7-5-6-8-29(28)33-22(2)36)25-17-19-35(20-18-25)21-23-9-15-27(32)16-10-23/h5-16H,4,17-21H2,1-3H3,(H,33,36)
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n/an/a 0.450n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363327
PNG
(CHEMBL1946620)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1ccccn1
Show InChI InChI=1S/C26H30N4OS/c1-3-30(4-2)26(31)22-10-8-20(9-11-22)25(24-7-5-6-14-27-24)21-12-15-29(16-13-21)17-23-18-32-19-28-23/h5-11,14,18-19H,3-4,12-13,15-17H2,1-2H3
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n/an/a 0.460n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036730
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H20ClNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2
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n/an/a 0.5n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363347
PNG
(CHEMBL1946617)
Show SMILES OC1CCN(CC1)C(=O)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C31H32N4O2S/c36-27-12-17-35(18-13-27)31(37)25-8-6-22(7-9-25)29(28-5-1-3-24-4-2-14-32-30(24)28)23-10-15-34(16-11-23)19-26-20-38-21-33-26/h1-9,14,20-21,27,36H,10-13,15-19H2
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n/an/a 0.630n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363345
PNG
(CHEMBL1946615)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)C(=C1CCN(Cc2cscn2)CC1)c1cccc2cccnc12
Show InChI InChI=1S/C30H30N4O2S/c35-30(34-15-17-36-18-16-34)25-8-6-22(7-9-25)28(27-5-1-3-24-4-2-12-31-29(24)27)23-10-13-33(14-11-23)19-26-20-37-21-32-26/h1-9,12,20-21H,10-11,13-19H2
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n/an/a 0.670n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362306
PNG
(CHEMBL1939735)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cccnc2)CC1)c1cccc(NC(=O)OC)c1
Show InChI InChI=1S/C30H37N5O3/c1-4-34(5-2)29(36)25-13-11-24(12-14-25)28(26-9-6-10-27(20-26)32-30(37)38-3)35-18-16-33(17-19-35)22-23-8-7-15-31-21-23/h6-15,20-21,28H,4-5,16-19,22H2,1-3H3,(H,32,37)/t28-/m1/s1
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n/an/a 0.680n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362300
PNG
(CHEMBL1939750)
Show SMILES CCOC(=O)Nc1cccc(c1)[C@H](N1CCN(Cc2cnc(C)[nH]2)CC1)c1ccc(cc1)C(=O)N(C)CC
Show InChI InChI=1S/C29H38N6O3/c1-5-33(4)28(36)23-12-10-22(11-13-23)27(24-8-7-9-25(18-24)32-29(37)38-6-2)35-16-14-34(15-17-35)20-26-19-30-21(3)31-26/h7-13,18-19,27H,5-6,14-17,20H2,1-4H3,(H,30,31)(H,32,37)/t27-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363331
PNG
(CHEMBL1946017)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccnc1
Show InChI InChI=1S/C29H32FN3O/c1-3-33(4-2)29(34)25-11-9-23(10-12-25)28(26-6-5-17-31-20-26)24-15-18-32(19-16-24)21-22-7-13-27(30)14-8-22/h5-14,17,20H,3-4,15-16,18-19,21H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363339
PNG
(CHEMBL1946024)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(NC(=O)OC)cc1
Show InChI InChI=1S/C32H36FN3O3/c1-4-36(5-2)31(37)27-10-8-24(9-11-27)30(25-12-16-29(17-13-25)34-32(38)39-3)26-18-20-35(21-19-26)22-23-6-14-28(33)15-7-23/h6-17H,4-5,18-22H2,1-3H3,(H,34,38)
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n/an/a 0.75n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362305
PNG
(CHEMBL1939745)
Show SMILES CCOC(=O)Nc1ccccc1[C@H](N1CCN(Cc2cscn2)CC1)c1ccc(cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C29H37N5O3S/c1-4-33(5-2)28(35)23-13-11-22(12-14-23)27(25-9-7-8-10-26(25)31-29(36)37-6-3)34-17-15-32(16-18-34)19-24-20-38-21-30-24/h7-14,20-21,27H,4-6,15-19H2,1-3H3,(H,31,36)/t27-/m1/s1
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n/an/a 0.780n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50363329
PNG
(CHEMBL1946015)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(=C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(F)c1
Show InChI InChI=1S/C30H32F2N2O/c1-3-34(4-2)30(35)25-12-10-23(11-13-25)29(26-6-5-7-28(32)20-26)24-16-18-33(19-17-24)21-22-8-14-27(31)15-9-22/h5-15,20H,3-4,16-19,21H2,1-2H3
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n/an/a 0.780n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodinated deltorphin 2 from delta opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 22: 1174-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.089
BindingDB Entry DOI: 10.7270/Q2FF3STJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50362313
PNG
(CHEMBL1939739)
Show SMILES Fc1ccc(CN2CCN(CC2)[C@H](c2ccc(cc2)C(=O)N2CCC2)c2cccc(NC(=O)C3CC3)c2)cc1
Show InChI InChI=1S/C32H35FN4O2/c33-28-13-5-23(6-14-28)22-35-17-19-36(20-18-35)30(24-7-11-26(12-8-24)32(39)37-15-2-16-37)27-3-1-4-29(21-27)34-31(38)25-9-10-25/h1,3-8,11-14,21,25,30H,2,9-10,15-20,22H2,(H,34,38)/t30-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [I125]deltorphin from delta-opioid receptor overexpressed in human HEK293 cells


Bioorg Med Chem Lett 22: 1169-73 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.088
BindingDB Entry DOI: 10.7270/Q269741B
More data for this
Ligand-Target Pair
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