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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'ebnöther' and Initial = 'am'   
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
Opioid receptor


(Rattus norvegicus (rat)-RAT)
BDBM50224339
PNG
(CHEMBL1744167)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC#C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 0.410n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224336
PNG
(CHEMBL1744168)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC=C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 0.410n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224323
PNG
(CHEMBL1794881)
Show SMILES OC(=O)\C=C\C(O)=O.CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC
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n/an/a 0.510n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224340
PNG
(CHEMBL147150)
Show SMILES CCOc1ccccc1N(CC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 0.550n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224323
PNG
(CHEMBL1794881)
Show SMILES OC(=O)\C=C\C(O)=O.CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC
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n/an/a 0.660n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224341
PNG
(CHEMBL1744169)
Show SMILES OC(=O)\C=C/C(O)=O.CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OCC
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224322
PNG
(CHEMBL1744170)
Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC
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n/an/a 0.940n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224341
PNG
(CHEMBL1744169)
Show SMILES OC(=O)\C=C/C(O)=O.CCCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OCC
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n/an/a 0.950n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224320
PNG
(CHEMBL1744186)
Show SMILES OC(=O)\C=C\C(O)=O.CCOc1ccccc1N(C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 0.980n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224340
PNG
(CHEMBL147150)
Show SMILES CCOc1ccccc1N(CC)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
PDB
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224319
PNG
(CHEMBL1744182)
Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(CC=C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224336
PNG
(CHEMBL1744168)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC=C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224321
PNG
(CHEMBL1744187)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 3.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224339
PNG
(CHEMBL1744167)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC#C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 4.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224322
PNG
(CHEMBL1744170)
Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC
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n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224324
PNG
(CHEMBL1744191)
Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC
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n/an/a 7.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224320
PNG
(CHEMBL1744186)
Show SMILES OC(=O)\C=C\C(O)=O.CCOc1ccccc1N(C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
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:16:15:1:3.4.10|
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+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224319
PNG
(CHEMBL1744182)
Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(CC=C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224324
PNG
(CHEMBL1744191)
Show SMILES OC(=O)\C=C\C(O)=O.CCN(C(=O)C(C)(C)C1(O)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224342
PNG
(CHEMBL1788139)
Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224321
PNG
(CHEMBL1744187)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 51n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
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:16:15:1:3.4.10|
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+/m0/s1
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n/an/a 87n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224342
PNG
(CHEMBL1788139)
Show SMILES OC(=O)\C=C/C(O)=O.CC(C(=O)N(C)C1CCCCC1)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 450n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224333
PNG
(PIPRADIMADOL | Pipradimadol)
Show SMILES CN(C1CCCCC1)C(=O)C(C)(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


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


(Rattus norvegicus (rat)-RAT)
BDBM50224333
PNG
(PIPRADIMADOL | Pipradimadol)
Show SMILES CN(C1CCCCC1)C(=O)C(C)(C)C1(O)CCN(CCc2ccccc2Cl)CC1
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n/an/a 825n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 26: 42-50 (1983)


BindingDB Entry DOI: 10.7270/Q23X88VD
More data for this
Ligand-Target Pair