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Compile Data Set for Download or QSAR

Found 453 hits with Last Name = 'schulz' and Initial = 'mj'   
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


(MOUSE)		BDBM50155124
PNG
(4-{Bromo-[(1S,5R)-8-furan-3-ylmethyl-8-aza-bicyclo...)
Show SMILES CCNC(=O)c1ccc(cc1)C(\Br)=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccoc1 |THB:21:20:13.14.19:17.16|
Show InChI InChI=1S/C22H25BrN2O2/c1-2-24-22(26)17-5-3-16(4-6-17)21(23)18-11-19-7-8-20(12-18)25(19)13-15-9-10-27-14-15/h3-6,9-10,14,19-20H,2,7-8,11-13H2,1H3,(H,24,26)/b21-18-/t19-,20+/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155085
PNG
(CHEMBL362331 | N,N-Diethyl-4-[(8-phenethyl-8-aza-b...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C33H38N2O/c1-3-34(4-2)33(36)28-17-15-27(16-18-28)32(26-13-9-6-10-14-26)29-23-30-19-20-31(24-29)35(30)22-21-25-11-7-5-8-12-25/h5-18,30-31H,3-4,19-24H2,1-2H3
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 0.260n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155068
PNG
(CHEMBL361720 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(-[#8])c(-[#8]-[#6])c1
Show InChI InChI=1S/C29H32N2O4/c1-3-30-29(33)21-6-4-20(5-7-21)28(22-8-11-26(32)27(16-22)34-2)23-14-24-9-10-25(15-23)31(24)17-19-12-13-35-18-19/h4-8,11-13,16,18,24-25,32H,3,9-10,14-15,17H2,1-2H3,(H,30,33)
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 0.590n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155120
PNG
(4-[(4-Acetylamino-phenyl)-(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(-[#7]-[#6](-[#6])=O)cc1
Show InChI InChI=1S/C30H33N3O3/c1-3-31-30(35)24-6-4-22(5-7-24)29(23-8-10-26(11-9-23)32-20(2)34)25-16-27-12-13-28(17-25)33(27)18-21-14-15-36-19-21/h4-11,14-15,19,27-28H,3,12-13,16-18H2,1-2H3,(H,31,35)(H,32,34)
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 0.800n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155082
PNG
(CHEMBL363287 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#6]-[#8])c1
Show InChI InChI=1S/C29H32N2O3/c1-2-30-29(33)23-8-6-22(7-9-23)28(24-5-3-4-20(14-24)18-32)25-15-26-10-11-27(16-25)31(26)17-21-12-13-34-19-21/h3-9,12-14,19,26-27,32H,2,10-11,15-18H2,1H3,(H,30,33)
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 0.810n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155069
PNG
(4-[Cyano-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\C#N)=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1
Show InChI InChI=1S/C23H25N3O2/c1-2-25-23(27)18-5-3-17(4-6-18)22(13-24)19-11-20-7-8-21(12-19)26(20)14-16-9-10-28-15-16/h3-6,9-10,15,20-21H,2,7-8,11-12,14H2,1H3,(H,25,27)
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 1n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155096
PNG
(4-[Benzo[1,3]dioxol-5-yl-(8-furan-3-ylmethyl-8-aza...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc2-[#8]-[#6]-[#8]-c2c1
Show InChI InChI=1S/C29H30N2O4/c1-2-30-29(32)21-5-3-20(4-6-21)28(22-7-10-26-27(15-22)35-18-34-26)23-13-24-8-9-25(14-23)31(24)16-19-11-12-33-17-19/h3-7,10-12,15,17,24-25H,2,8-9,13-14,16,18H2,1H3,(H,30,32)
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 1.10n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155119
PNG
(4-[(3-Acetylamino-phenyl)-(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#7]-[#6](-[#6])=O)c1
Show InChI InChI=1S/C30H33N3O3/c1-3-31-30(35)23-9-7-22(8-10-23)29(24-5-4-6-26(15-24)32-20(2)34)25-16-27-11-12-28(17-25)33(27)18-21-13-14-36-19-21/h4-10,13-15,19,27-28H,3,11-12,16-18H2,1-2H3,(H,31,35)(H,32,34)
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 1.20n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155076
PNG
(CHEMBL186530 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccnc1
Show InChI InChI=1S/C27H29N3O2/c1-2-29-27(31)21-7-5-20(6-8-21)26(22-4-3-12-28-16-22)23-14-24-9-10-25(15-23)30(24)17-19-11-13-32-18-19/h3-8,11-13,16,18,24-25H,2,9-10,14-15,17H2,1H3,(H,29,31)
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 1.20n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155112
PNG
(1N-ethyl-4-{4-carbamoylphenyl[8-(3-furylmethyl)-8-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](-[#7])=O
Show InChI InChI=1S/C29H31N3O3/c1-2-31-29(34)23-9-5-21(6-10-23)27(20-3-7-22(8-4-20)28(30)33)24-15-25-11-12-26(16-24)32(25)17-19-13-14-35-18-19/h3-10,13-14,18,25-26H,2,11-12,15-17H2,1H3,(H2,30,33)(H,31,34)
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 1.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155101
PNG
(4-[(3-Acetyl-phenyl)-(8-furan-3-ylmethyl-8-aza-bic...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(c1)-[#6](-[#6])=O
Show InChI InChI=1S/C30H32N2O3/c1-3-31-30(34)23-9-7-22(8-10-23)29(25-6-4-5-24(15-25)20(2)33)26-16-27-11-12-28(17-26)32(27)18-21-13-14-35-19-21/h4-10,13-15,19,27-28H,3,11-12,16-18H2,1-2H3,(H,31,34)
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 1.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155089
PNG
(4-[Benzo[1,3]dioxol-5-yl-(8-thiophen-3-ylmethyl-8-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccsc1)\c1ccc2-[#8]-[#6]-[#8]-c2c1
Show InChI InChI=1S/C29H30N2O3S/c1-2-30-29(32)21-5-3-20(4-6-21)28(22-7-10-26-27(15-22)34-18-33-26)23-13-24-8-9-25(14-23)31(24)16-19-11-12-35-17-19/h3-7,10-12,15,17,24-25H,2,8-9,13-14,16,18H2,1H3,(H,30,32)
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 1.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155109
PNG
(4-[(2,6-Dimethyl-phenyl)-(8-furan-3-ylmethyl-8-aza...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C30H34N2O2/c1-4-31-30(33)24-10-8-23(9-11-24)29(28-20(2)6-5-7-21(28)3)25-16-26-12-13-27(17-25)32(26)18-22-14-15-34-19-22/h5-11,14-15,19,26-27H,4,12-13,16-18H2,1-3H3,(H,31,33)
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 1.40n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155077
PNG
(CHEMBL186183 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#7+](-[#8-])=O
Show InChI InChI=1S/C28H29N3O4/c1-2-29-28(32)22-5-3-20(4-6-22)27(21-7-9-24(10-8-21)31(33)34)23-15-25-11-12-26(16-23)30(25)17-19-13-14-35-18-19/h3-10,13-14,18,25-26H,2,11-12,15-17H2,1H3,(H,29,32)
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 1.5n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Oxytocin receptor


(Homo sapiens (Human))		BDBM50299343
PNG
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r|
Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
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PubMed
 1.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant oxytocin receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mi...

Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155064
PNG
(4-[(4-Acetyl-phenyl)-(8-furan-3-ylmethyl-8-aza-bic...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](-[#6])=O
Show InChI InChI=1S/C30H32N2O3/c1-3-31-30(34)25-10-8-24(9-11-25)29(23-6-4-22(5-7-23)20(2)33)26-16-27-12-13-28(17-26)32(27)18-21-14-15-35-19-21/h4-11,14-15,19,27-28H,3,12-13,16-18H2,1-2H3,(H,31,34)
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 1.70n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155107
PNG
(CHEMBL185229 | N-Ethyl-4-[(4-fluoro-phenyl)-(8-fur...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN2O2/c1-2-30-28(32)22-5-3-20(4-6-22)27(21-7-9-24(29)10-8-21)23-15-25-11-12-26(16-23)31(25)17-19-13-14-33-18-19/h3-10,13-14,18,25-26H,2,11-12,15-17H2,1H3,(H,30,32)
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 1.70n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155080
PNG
(4-[(3,5-Dimethyl-isoxazol-4-yl)-(8-furan-3-ylmethy...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\c1c(-[#6])noc1-[#6])=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1
Show InChI InChI=1S/C27H31N3O3/c1-4-28-27(31)21-7-5-20(6-8-21)26(25-17(2)29-33-18(25)3)22-13-23-9-10-24(14-22)30(23)15-19-11-12-32-16-19/h5-8,11-12,16,23-24H,4,9-10,13-15H2,1-3H3,(H,28,31)
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 1.80n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		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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 1.80n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mu-type opioid receptor


(MOUSE)		BDBM50155105
PNG
(4-[Bromo-(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\Br)=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1
Show InChI InChI=1S/C22H25BrN2O2/c1-2-24-22(26)17-5-3-16(4-6-17)21(23)18-11-19-7-8-20(12-18)25(19)13-15-9-10-27-14-15/h3-6,9-10,14,19-20H,2,7-8,11-13H2,1H3,(H,24,26)
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 1.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155103
PNG
(4-{(3-Acetyl-phenyl)-[8-(3-methyl-but-3-enyl)-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6](-[#6])=[#6])\c1cccc(c1)-[#6](-[#6])=O
Show InChI InChI=1S/C30H36N2O2/c1-5-31-30(34)23-11-9-22(10-12-23)29(25-8-6-7-24(17-25)21(4)33)26-18-27-13-14-28(19-26)32(27)16-15-20(2)3/h6-12,17,27-28H,2,5,13-16,18-19H2,1,3-4H3,(H,31,34)
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 1.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155084
PNG
(CHEMBL434903 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\[#6]-1=[#6]-[#7](-[#8]-[#6])-[#6]=[#6]-[#6]1 |c:35,t:30|
Show InChI InChI=1S/C28H33N3O3/c1-3-29-28(32)22-8-6-21(7-9-22)27(23-5-4-13-30(18-23)33-2)24-15-25-10-11-26(16-24)31(25)17-20-12-14-34-19-20/h4,6-9,12-14,18-19,25-26H,3,5,10-11,15-17H2,1-2H3,(H,29,32)
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 1.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155079
PNG
(CHEMBL361456 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccncc1
Show InChI InChI=1S/C27H29N3O2/c1-2-29-27(31)22-5-3-20(4-6-22)26(21-9-12-28-13-10-21)23-15-24-7-8-25(16-23)30(24)17-19-11-14-32-18-19/h3-6,9-14,18,24-25H,2,7-8,15-17H2,1H3,(H,29,31)
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 2.20n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155106
PNG
(4-{Cyano-[(1R,5S)-8-furan-3-ylmethyl-8-aza-bicyclo...)
Show SMILES CCNC(=O)c1ccc(cc1)C(\C#N)=C1/C[C@@H]2CC[C@H](C1)N2Cc1ccoc1 |THB:22:21:14.20.15:17.18|
Show InChI InChI=1S/C23H25N3O2/c1-2-25-23(27)18-5-3-17(4-6-18)22(13-24)19-11-20-7-8-21(12-19)26(20)14-16-9-10-28-15-16/h3-6,9-10,15,20-21H,2,7-8,11-12,14H2,1H3,(H,25,27)/b22-19-/t20-,21+/m1/s1
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 2.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155099
PNG
(CHEMBL185780 | N-Ethyl-4-[pyrazin-2-yl-(8-thiophen...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccsc1)\c1cnccn1
Show InChI InChI=1S/C26H28N4OS/c1-2-28-26(31)20-5-3-19(4-6-20)25(24-15-27-10-11-29-24)21-13-22-7-8-23(14-21)30(22)16-18-9-12-32-17-18/h3-6,9-12,15,17,22-23H,2,7-8,13-14,16H2,1H3,(H,28,31)
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 2.5n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155070
PNG
(4-{Cyano-[(1S,5R)-8-furan-3-ylmethyl-8-aza-bicyclo...)
Show SMILES CCNC(=O)c1ccc(cc1)C(\C#N)=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccoc1 |THB:22:21:14.15.20:18.17|
Show InChI InChI=1S/C23H25N3O2/c1-2-25-23(27)18-5-3-17(4-6-18)22(13-24)19-11-20-7-8-21(12-19)26(20)14-16-9-10-28-15-16/h3-6,9-10,15,20-21H,2,7-8,11-12,14H2,1H3,(H,25,27)/b22-19-/t20-,21+/m0/s1
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 2.60n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155100
PNG
(4-[(3-Amino-phenyl)-(8-furan-3-ylmethyl-8-aza-bicy...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#7])c1
Show InChI InChI=1S/C28H31N3O2/c1-2-30-28(32)21-8-6-20(7-9-21)27(22-4-3-5-24(29)14-22)23-15-25-10-11-26(16-23)31(25)17-19-12-13-33-18-19/h3-9,12-14,18,25-26H,2,10-11,15-17,29H2,1H3,(H,30,32)
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 2.60n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155122
PNG
(4-{(3-Acetyl-phenyl)-[(1R,5S)-8-(3-methyl-but-3-en...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2CCC(C)=C)\c1cccc(c1)C(C)=O |THB:20:19:12.13.18:16.15|
Show InChI InChI=1S/C30H36N2O2/c1-5-31-30(34)23-11-9-22(10-12-23)29(25-8-6-7-24(17-25)21(4)33)26-18-27-13-14-28(19-26)32(27)16-15-20(2)3/h6-12,17,27-28H,2,5,13-16,18-19H2,1,3-4H3,(H,31,34)/b29-26-/t27-,28+/m1/s1
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 2.80n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155063
PNG
(3-{3-[(4-Ethylcarbamoyl-phenyl)-(8-furan-3-ylmethy...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(-[#6]-[#6]-[#6](-[#8])=O)c1
Show InChI InChI=1S/C31H34N2O4/c1-2-32-31(36)24-9-7-23(8-10-24)30(25-5-3-4-21(16-25)6-13-29(34)35)26-17-27-11-12-28(18-26)33(27)19-22-14-15-37-20-22/h3-5,7-10,14-16,20,27-28H,2,6,11-13,17-19H2,1H3,(H,32,36)(H,34,35)
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 3n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155094
PNG
(CHEMBL186041 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)S([#6])(=O)=O
Show InChI InChI=1S/C29H32N2O4S/c1-3-30-29(32)23-6-4-21(5-7-23)28(22-8-12-27(13-9-22)36(2,33)34)24-16-25-10-11-26(17-24)31(25)18-20-14-15-35-19-20/h4-9,12-15,19,25-26H,3,10-11,16-18H2,1-2H3,(H,30,32)
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 3.10n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155086
PNG
(4-[(3-Cyano-phenyl)-(8-furan-3-ylmethyl-8-aza-bicy...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(c1)C#N
Show InChI InChI=1S/C29H29N3O2/c1-2-31-29(33)23-8-6-22(7-9-23)28(24-5-3-4-20(14-24)17-30)25-15-26-10-11-27(16-25)32(26)18-21-12-13-34-19-21/h3-9,12-14,19,26-27H,2,10-11,15-16,18H2,1H3,(H,31,33)
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 3.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155111
PNG
(4-[(3-Acetylamino-phenyl)-(8-pyridin-2-ylmethyl-8-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccccn1)\c1cccc(-[#7]-[#6](-[#6])=O)c1
Show InChI InChI=1S/C31H34N4O2/c1-3-32-31(37)23-12-10-22(11-13-23)30(24-7-6-9-26(17-24)34-21(2)36)25-18-28-14-15-29(19-25)35(28)20-27-8-4-5-16-33-27/h4-13,16-17,28-29H,3,14-15,18-20H2,1-2H3,(H,32,37)(H,34,36)
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 3.60n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155072
PNG
(CHEMBL187376 | N-Ethyl-4-[(3-fluoro-phenyl)-(8-fur...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(F)c1
Show InChI InChI=1S/C28H29FN2O2/c1-2-30-28(32)21-8-6-20(7-9-21)27(22-4-3-5-24(29)14-22)23-15-25-10-11-26(16-23)31(25)17-19-12-13-33-18-19/h3-9,12-14,18,25-26H,2,10-11,15-17H2,1H3,(H,30,32)
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 3.70n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155075
PNG
(CHEMBL363677 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cnc2ccccc2c1
Show InChI InChI=1S/C31H31N3O2/c1-2-32-31(35)23-9-7-22(8-10-23)30(26-15-24-5-3-4-6-29(24)33-18-26)25-16-27-11-12-28(17-25)34(27)19-21-13-14-36-20-21/h3-10,13-15,18,20,27-28H,2,11-12,16-17,19H2,1H3,(H,32,35)
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 4n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155121
PNG
(CHEMBL363265 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\[#6]-1=[#6]-[#7](-[#8])-[#6]=[#6]-[#6]1 |c:34,t:30|
Show InChI InChI=1S/C27H31N3O3/c1-2-28-27(31)21-7-5-20(6-8-21)26(22-4-3-12-29(32)17-22)23-14-24-9-10-25(15-23)30(24)16-19-11-13-33-18-19/h3,5-8,11-13,17-18,24-25,32H,2,4,9-10,14-16H2,1H3,(H,28,31)
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 4.10n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155108
PNG
(CHEMBL185782 | N-Ethyl-4-[pyridin-2-yl-(8-thiophen...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1cccs1)\c1ccccn1
Show InChI InChI=1S/C27H29N3OS/c1-2-28-27(31)20-10-8-19(9-11-20)26(25-7-3-4-14-29-25)21-16-22-12-13-23(17-21)30(22)18-24-6-5-15-32-24/h3-11,14-15,22-23H,2,12-13,16-18H2,1H3,(H,28,31)
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 6n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155125
PNG
(CHEMBL184820 | N-Ethyl-4-{furan-2-yl-[8-(3-methyl-...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](\c1ccco1)=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]-[#6](-[#6])=[#6]
Show InChI InChI=1S/C26H32N2O2/c1-4-27-26(29)20-9-7-19(8-10-20)25(24-6-5-15-30-24)21-16-22-11-12-23(17-21)28(22)14-13-18(2)3/h5-10,15,22-23H,2,4,11-14,16-17H2,1,3H3,(H,27,29)
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 6.30n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155078
PNG
(1N,1N-dimethyl-4-{4-ethylcarbamoylphenyl[8-(3-fury...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](=O)-[#7](-[#6])-[#6]
Show InChI InChI=1S/C31H35N3O3/c1-4-32-30(35)24-9-5-22(6-10-24)29(23-7-11-25(12-8-23)31(36)33(2)3)26-17-27-13-14-28(18-26)34(27)19-21-15-16-37-20-21/h5-12,15-16,20,27-28H,4,13-14,17-19H2,1-3H3,(H,32,35)
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 6.70n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155113
PNG
(CHEMBL187806 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cncnc1
Show InChI InChI=1S/C26H28N4O2/c1-2-29-26(31)20-5-3-19(4-6-20)25(22-13-27-17-28-14-22)21-11-23-7-8-24(12-21)30(23)15-18-9-10-32-16-18/h3-6,9-10,13-14,16-17,23-24H,2,7-8,11-12,15H2,1H3,(H,29,31)
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 6.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155092
PNG
(4-{(3-Acetylamino-phenyl)-[8-(1H-imidazol-4-ylmeth...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2Cc1cnc[nH]1)c1cccc(NC(C)=O)c1 |(8.64,3.46,;7.32,4.22,;5.98,3.44,;4.63,4.2,;4.6,5.74,;3.31,3.44,;1.96,4.2,;.63,3.42,;.63,1.9,;1.96,1.12,;3.31,1.9,;-.7,1.12,;-.71,-.42,;-2.06,-1.17,;-2.06,-2.7,;-1.46,-1.59,;-.11,-1.59,;.58,-2.74,;.61,-1.2,;-.74,-3.5,;-.77,-5.03,;.55,-5.82,;1.95,-5.2,;2.97,-6.35,;2.18,-7.68,;.7,-7.34,;-2.02,1.9,;-2.02,3.44,;-3.35,4.2,;-4.69,3.44,;-4.69,1.9,;-6,1.14,;-6,-.38,;-4.69,-1.13,;-7.32,-1.13,;-3.35,1.12,)|
Show InChI InChI=1S/C29H33N5O2/c1-3-31-29(36)21-9-7-20(8-10-21)28(22-5-4-6-24(13-22)33-19(2)35)23-14-26-11-12-27(15-23)34(26)17-25-16-30-18-32-25/h4-10,13,16,18,26-27H,3,11-12,14-15,17H2,1-2H3,(H,30,32)(H,31,36)(H,33,35)
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 9.40n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155118
PNG
(CHEMBL425713 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cnccn1
Show InChI InChI=1S/C26H28N4O2/c1-2-28-26(31)20-5-3-19(4-6-20)25(24-15-27-10-11-29-24)21-13-22-7-8-23(14-21)30(22)16-18-9-12-32-17-18/h3-6,9-12,15,17,22-23H,2,7-8,13-14,16H2,1H3,(H,28,31)
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 9.90n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155117
PNG
(CHEMBL361483 | N-Ethyl-4-{[3-(1H-tetrazol-5-yl)-ph...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccsc1)\c1cccc(c1)-c1nnn[nH]1 |THB:20:19:12.18.13:15.16|
Show InChI InChI=1S/C29H30N6OS/c1-2-30-29(36)21-8-6-20(7-9-21)27(22-4-3-5-23(14-22)28-31-33-34-32-28)24-15-25-10-11-26(16-24)35(25)17-19-12-13-37-18-19/h3-9,12-14,18,25-26H,2,10-11,15-17H2,1H3,(H,30,36)(H,31,32,33,34)/b27-24-/t25-,26+/m1/s1
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 12n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155067
PNG
(3-[(4-Ethylcarbamoyl-phenyl)-(8-furan-3-ylmethyl-8...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cc(cc(c1)-[#7+](-[#8-])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C29H29N3O6/c1-2-30-28(33)20-5-3-19(4-6-20)27(21-11-23(29(34)35)15-26(14-21)32(36)37)22-12-24-7-8-25(13-22)31(24)16-18-9-10-38-17-18/h3-6,9-11,14-15,17,24-25H,2,7-8,12-13,16H2,1H3,(H,30,33)(H,34,35)
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 12n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155097
PNG
(4-[(4-Ethylcarbamoyl-phenyl)-(8-furan-3-ylmethyl-8...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(cc1)-[#6](-[#8])=O
Show InChI InChI=1S/C29H30N2O4/c1-2-30-28(32)22-7-3-20(4-8-22)27(21-5-9-23(10-6-21)29(33)34)24-15-25-11-12-26(16-24)31(25)17-19-13-14-35-18-19/h3-10,13-14,18,25-26H,2,11-12,15-17H2,1H3,(H,30,32)(H,33,34)
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 12n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155102
PNG
(1N,1N-dimethyl-4-{4-ethylcarbamoylphenyl[8-(2-pyri...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccccn1)\c1ccc(cc1)C(=O)N(C)C |THB:20:19:12.18.13:16.15|
Show InChI InChI=1S/C32H36N4O2/c1-4-33-31(37)24-12-8-22(9-13-24)30(23-10-14-25(15-11-23)32(38)35(2)3)26-19-28-16-17-29(20-26)36(28)21-27-7-5-6-18-34-27/h5-15,18,28-29H,4,16-17,19-21H2,1-3H3,(H,33,37)/b30-26-/t28-,29+/m1/s1
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 14n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155098
PNG
(CHEMBL366285 | N-Ethyl-4-{(4-hydroxymethyl-phenyl)...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1\C[C@@H]2CC[C@H](C1)N2Cc1ccsc1)\c1ccc(CO)cc1 |THB:20:19:12.18.13:15.16|
Show InChI InChI=1S/C29H32N2O2S/c1-2-30-29(33)24-9-7-23(8-10-24)28(22-5-3-20(18-32)4-6-22)25-15-26-11-12-27(16-25)31(26)17-21-13-14-34-19-21/h3-10,13-14,19,26-27,32H,2,11-12,15-18H2,1H3,(H,30,33)/b28-25-/t26-,27+/m0/s1
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 17n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155083
PNG
(CHEMBL187260 | N-Ethyl-4-[(8-furan-3-ylmethyl-8-az...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1ccc(-[#6]-[#8])cc1
Show InChI InChI=1S/C29H32N2O3/c1-2-30-29(33)24-9-7-23(8-10-24)28(22-5-3-20(18-32)4-6-22)25-15-26-11-12-27(16-25)31(26)17-21-13-14-34-19-21/h3-10,13-14,19,26-27,32H,2,11-12,15-18H2,1H3,(H,30,33)
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 19n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155087
PNG
(3-{(4-Ethylcarbamoyl-phenyl)-[(1S,5R)-8-(3-methyl-...)
Show SMILES CCNC(=O)c1ccc(cc1)C(=C1/C[C@@H]2CC[C@H](C1)N2CCC(C)=C)\c1cccc(c1)C(O)=O |THB:20:19:12.18.13:15.16|
Show InChI InChI=1S/C29H34N2O3/c1-4-30-28(32)21-10-8-20(9-11-21)27(22-6-5-7-23(16-22)29(33)34)24-17-25-12-13-26(18-24)31(25)15-14-19(2)3/h5-11,16,25-26H,2,4,12-15,17-18H2,1,3H3,(H,30,32)(H,33,34)/b27-24-/t25-,26+/m0/s1
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 24n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))		BDBM50417689
PNG
(CHEMBL1643585)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1csc(n1)-c1ccc(CNCC(C)C)cc1)C1CCCC1
Show InChI InChI=1S/C27H35N3O3S2/c1-20(2)16-28-17-21-8-10-22(11-9-21)27-29-23(19-34-27)18-30(24-6-4-5-7-24)35(31,32)26-14-12-25(33-3)13-15-26/h8-15,19-20,24,28H,4-7,16-18H2,1-3H3
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 25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant V1b receptor expressed in CHO cells assessed as inhibition of vasopressin-induced calcium release after 10 mins by...

Bioorg Med Chem Lett 21: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.061
BindingDB Entry DOI: 10.7270/Q2639R01
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50155114
PNG
(3-[(4-Ethylcarbamoyl-phenyl)-(8-furan-3-ylmethyl-8...)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-c1ccoc1)\c1cccc(c1)-[#6](-[#8])=O
Show InChI InChI=1S/C29H30N2O4/c1-2-30-28(32)21-8-6-20(7-9-21)27(22-4-3-5-23(14-22)29(33)34)24-15-25-10-11-26(16-24)31(25)17-19-12-13-35-18-19/h3-9,12-14,18,25-26H,2,10-11,15-17H2,1H3,(H,30,32)(H,33,34)
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 28n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against mu opioid receptor in mouse hot plate test

Bioorg Med Chem Lett 14: 5493-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.004
BindingDB Entry DOI: 10.7270/Q2X34WZV
More data for this
Ligand-Target Pair
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