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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Mu opioid receptor-like OR2'   
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
Mu opioid receptor-like OR2


(Danio rerio)
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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187n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
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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187n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50233418
PNG
(CHEMBL4101712)
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203n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50233419
PNG
(CHEMBL4083712)
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223n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50233415
PNG
(CHEMBL4064725)
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239n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50233414
PNG
(CHEMBL4095111)
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269n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50233416
PNG
(CHEMBL4065055)
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313n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50233417
PNG
(CHEMBL4102609)
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383n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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684n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50001465
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
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1.32E+3n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL




Bioorg Med Chem 25: 2260-2265 (2017)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50116156
PNG
(CHEMBL3612241)
Show SMILES Cl.[H][C@]12CCC[C@]([H])([C@@H]1C(=O)OC)N(CCc1ccccc1)CC2 |r,TLB:14:13:8:3.5.4|
Show InChI InChI=1/C18H25NO2.ClH/c1-21-18(20)17-15-8-5-9-16(17)19(13-11-15)12-10-14-6-3-2-4-7-14;/h2-4,6-7,15-17H,5,8-13H2,1H3;1H/t15-,16-,17-;/s2
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8.24E+3n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50116158
PNG
(CHEMBL3612242)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)Oc1cccc(O)c1 |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1/C15H19NO3.ClH/c17-11-4-2-5-12(9-11)19-15(18)14-10-3-1-6-13(14)16-8-7-10;/h2,4-5,9-10,13-14,16-17H,1,3,6-8H2;1H/t10-,13-,14-;/s2
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9.52E+3n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50116163
PNG
(CHEMBL3612243)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)Oc1ccc(O)cc1 |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1/C15H19NO3.ClH/c17-11-4-6-12(7-5-11)19-15(18)14-10-2-1-3-13(14)16-9-8-10;/h4-7,10,13-14,16-17H,1-3,8-9H2;1H/t10-,13-,14-;/s2
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1.27E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50116155
PNG
(CHEMBL3612240)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)Oc1ccccc1 |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1/C15H19NO2.ClH/c17-15(18-12-6-2-1-3-7-12)14-11-5-4-8-13(14)16-10-9-11;/h1-3,6-7,11,13-14,16H,4-5,8-10H2;1H/t11-,13-,14-;/s2
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3.20E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50116081
PNG
(CHEMBL3612238)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)OC |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1/C10H17NO2.ClH/c1-13-10(12)9-7-3-2-4-8(9)11-6-5-7;/h7-9,11H,2-6H2,1H3;1H/t7-,8-,9-;/s2
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3.53E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50116153
PNG
(CHEMBL3612239)
Show SMILES Cl.[H][C@]12CCC[C@]([H])([C@@H]1C(=O)OC)N(Cc1ccccc1)CC2 |r,TLB:14:13:8:3.5.4|
Show InChI InChI=1/C17H23NO2.ClH/c1-20-17(19)16-14-8-5-9-15(16)18(11-10-14)12-13-6-3-2-4-7-13;/h2-4,6-7,14-16H,5,8-12H2,1H3;1H/t14-,15-,16-;/s2
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3.70E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50116169
PNG
(CHEMBL3612245)
Show SMILES Cl.[H][C@]12CCC[C@]([H])([C@@H]1C(=O)OC)N(CC2)C(=O)[C@@H](N)Cc1ccccc1 |r,TLB:16:13:8:3.5.4|
Show InChI InChI=1/C19H26N2O3.ClH/c1-24-19(23)17-14-8-5-9-16(17)21(11-10-14)18(22)15(20)12-13-6-3-2-4-7-13;/h2-4,6-7,14-17H,5,8-12,20H2,1H3;1H/t14-,15+,16-,17-;/s2
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7.58E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair
Mu opioid receptor-like OR2


(Danio rerio)
BDBM50116168
PNG
(CHEMBL3612244)
Show SMILES Cl.[H][C@@]12CCC[C@@]([H])(NCC1)[C@@H]2C(=O)N[C@@H](Cc1ccccc1)C(=O)OC |r,THB:12:11:3.5.4:8.10.9|
Show InChI InChI=1/C19H26N2O3.ClH/c1-24-19(23)16(12-13-6-3-2-4-7-13)21-18(22)17-14-8-5-9-15(17)20-11-10-14;/h2-4,6-7,14-17,20H,5,8-12H2,1H3,(H,21,22);1H/t14-,15-,16+,17-;/s2
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7.80E+4n/an/an/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from zebrafish mu opioid receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Eur J Med Chem 101: 150-62 (2015)

More data for this
Ligand-Target Pair