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Compile Data Set for Download or QSAR

Found 31 hits of kd data for polymerid = 2213,49000878,49000882   
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-type opioid receptor


(Homo sapiens (Human))
BDBM50346953
PNG
(CHEMBL1795713 | CHEMBL1795716)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4NC(=O)c1cccc(I)c1)ccc5O |r|
Show InChI InChI=1S/C24H25IN2O4/c1-27-10-9-23-19-13-5-6-17(28)20(19)31-21(23)16(7-8-24(23,30)18(27)12-13)26-22(29)14-3-2-4-15(25)11-14/h2-6,11,16,18,21,28,30H,7-10,12H2,1H3,(H,26,29)/t16-,18-,21+,23+,24-/m1/s1
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n/an/an/a 0.0800n/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to MOR-1 expressed in CHO cells after 90 mins


Bioorg Med Chem Lett 21: 4001-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50601574
PNG
(CHEMBL5201074)
Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50601567
PNG
(CHEMBL5206565)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50568740
PNG
(CHEMBL4860528)
Show SMILES CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
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n/an/an/a 0.0900n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50601551
PNG
(CHEMBL5207281)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50346951
PNG
(CHEMBL1795711 | CHEMBL1795714)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
Show InChI InChI=1S/C27H29IN2O4/c28-18-3-1-2-17(12-18)25(32)29-19-8-9-27(33)21-13-16-6-7-20(31)23-22(16)26(27,24(19)34-23)10-11-30(21)14-15-4-5-15/h1-3,6-7,12,15,19,21,24,31,33H,4-5,8-11,13-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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n/an/an/a 0.110n/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to MOR-1 expressed in CHO cells after 90 mins


Bioorg Med Chem Lett 21: 4001-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50346952
PNG
(CHEMBL1795712 | CHEMBL1795715)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(I)c1 |r|
Show InChI InChI=1S/C26H27IN2O4/c1-2-11-29-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(29)14-15)28-24(31)16-4-3-5-17(27)13-16/h2-7,13,18,20,23,30,32H,1,8-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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n/an/an/a 0.220n/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to MOR-1 expressed in CHO cells after 90 mins


Bioorg Med Chem Lett 21: 4001-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.008
BindingDB Entry DOI: 10.7270/Q29C6ZDF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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n/an/an/a 0.220n/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor expressed in CHO cells


J Med Chem 53: 1392-6 (2010)


Article DOI: 10.1021/jm901503e
BindingDB Entry DOI: 10.7270/Q2RX9C5Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(CALF)
BDBM50421363
PNG
(CHEMBL2304424)
Show SMILES C[C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@]4(C)Oc5c6c(C[C@H]1N(CC1CC1)CC[C@@]246)ccc5O)ccc3O
Show InChI InChI=1S/C46H54N4O8S2/c1-41-33(53)11-13-45(31-19-27-7-9-29(51)39(57-41)37(27)43(41,45)15-17-49(31)21-25-3-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-34(54)42(2)44(46)16-18-50(22-26-5-6-26)32(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,31-32,51-52H,3-6,11-24H2,1-2H3,(H,47,55)(H,48,56)/t31-,32-,41+,42+,43+,44+,45-,46-/m1/s1
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n/an/an/a 0.400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor mu 1 using [3H]DAMGO expressed as Kd


Bioorg Med Chem Lett 5: 1695-1700 (1995)


Article DOI: 10.1016/0960-894X(95)00287-4
BindingDB Entry DOI: 10.7270/Q2125SNJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against kappa opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6 nM nor-BNI


Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50060065
PNG
(2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C23H29N3O3/c1-14-9-18(27)10-15(2)19(14)12-21(25(3)4)23(29)26-13-17-8-6-5-7-16(17)11-20(26)22(24)28/h5-10,20-21,27H,11-13H2,1-4H3,(H2,24,28)/t20?,21-/m0/s1
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University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
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
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
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
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition


Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
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
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranesin unblocked condition


Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
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
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranesin unblocked condition


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP


Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 684n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 684n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition


Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50060068
PNG
(2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimethyl-p...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(O)=O
Show InChI InChI=1S/C23H28N2O4/c1-14-9-18(26)10-15(2)19(14)12-20(24(3)4)22(27)25-13-17-8-6-5-7-16(17)11-21(25)23(28)29/h5-10,20-21,26H,11-13H2,1-4H3,(H,28,29)/t20-,21?/m0/s1
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PubMed
n/an/an/a 1.59E+3n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50060082
PNG
(2-({2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-met...)
Show SMILES C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1c(C)cc(O)cc1C)N(C)C)C(O)=O
Show InChI InChI=1S/C26H33N3O5/c1-15-10-20(30)11-16(2)21(15)13-23(28(4)5)25(32)29-14-19-9-7-6-8-18(19)12-22(29)24(31)27-17(3)26(33)34/h6-11,17,22-23,30H,12-14H2,1-5H3,(H,27,31)(H,33,34)/t17-,22-,23-/m0/s1
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n/an/an/a 1.59E+3n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50082341
PNG
(4-[((3R,4S)-1-Allyl-3-methyl-piperidin-4-yl)-pheny...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m1/s1
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n/an/an/a 1.78E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 2.14E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP


Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM21130
PNG
(N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl...)
Show SMILES CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
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n/an/an/a 2.14E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50083636
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-phenyl-amino]...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3
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n/an/an/a 3.50E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50082339
PNG
(4-[((S)-1-Allyl-3-methyl-piperidin-4-yl)-phenyl-am...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21?,25-/m0/s1
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n/an/an/a 3.50E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes in unblocked condition


Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50082341
PNG
(4-[((3R,4S)-1-Allyl-3-methyl-piperidin-4-yl)-pheny...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m1/s1
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n/an/an/a 3.60E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50083636
PNG
(4-[(1-Allyl-3-methyl-piperidin-4-yl)-phenyl-amino]...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3
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n/an/an/a 4.67E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Delta opioid receptor in using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 20 nM NTI


Bioorg Med Chem Lett 9: 3347-50 (2000)


BindingDB Entry DOI: 10.7270/Q2MK6DDP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50082339
PNG
(4-[((S)-1-Allyl-3-methyl-piperidin-4-yl)-phenyl-am...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@H]1CCN(CC=C)CC1C)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21?,25-/m0/s1
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n/an/an/a 4.67E+3n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity against Mu opioid receptor using [35S]GTP-gamma-S, binding assay in guinea pig caudate membranes blocked with 6000 nM CTAP


Bioorg Med Chem Lett 9: 3053-6 (1999)


BindingDB Entry DOI: 10.7270/Q28916BJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50060076
PNG
(2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...)
Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C22H27N3O3/c1-13-8-17(26)9-14(2)18(13)11-19(24-3)22(28)25-12-16-7-5-4-6-15(16)10-20(25)21(23)27/h4-9,19-20,24,26H,10-12H2,1-3H3,(H2,23,27)/t19-,20?/m0/s1
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n/an/an/a 1.00E+4n/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Antagonist activity against Opioid receptor mu 1 iin a guinea pig ileum assay


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair