Found 70 hits of ki for UniProtKB: P79350 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Mu-type opioid receptor
(CALF) | BDBM85393
(14β-(p-chlorocinnamoylamino)-7,8-dihydrocodei...)Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:22:21:16.5.6:8.11.10,9:8:21:16.5.6,THB:15:16:21:8.11.10| Show InChI InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-6-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-5-16-3-7-18(28)8-4-16/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-5-/t21?,25-,26?,27?/m0/s1 | PDB
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| PC cid
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 304-11 (1999)
BindingDB Entry DOI: 10.7270/Q2MC8XJC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50010483
(CHEMBL2181202)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 | PDB
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM86518
(CAS_509-60-4 | DIHYDROMORPHINE | NSC_273032)Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O |TLB:13:12:1.2.3:10.9.8| Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3 | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
Eur J Pharmacol 492: 123-30 (2004)
Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50106276
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrroli...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26+,27+,28?/m0/s1 | PDB
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| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 1007-13 (1998)
BindingDB Entry DOI: 10.7270/Q2QC022N |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM85396
(CACO)Show SMILES COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O |r,TLB:22:21:16.5.6:8.11.10,9:8:21:16.5.6,THB:15:16:21:8.11.10| Show InChI InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5-/t21?,25-,26?,27?/m0/s1 | PDB
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 304-11 (1999)
BindingDB Entry DOI: 10.7270/Q2MC8XJC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM86258
(CAS_23552-18-3 | Morphine | NSC_5980)Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8| 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 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
Eur J Pharmacol 492: 123-30 (2004)
Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mu-type opioid receptor
(CALF) | BDBM50594853
(CHEMBL1355638)Show SMILES [#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000092
((-)-(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 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 1 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(CALF) | BDBM50095150
((R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30+/m0/s1 | PDB
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| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 1007-13 (1998)
BindingDB Entry DOI: 10.7270/Q2QC022N |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000092
((-)-(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 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(CALF) | BDBM85394
(N-CPM-CACO)Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13| Show InChI InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6-/t24?,28-,29?,30?/m0/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 304-11 (1999)
BindingDB Entry DOI: 10.7270/Q2MC8XJC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM86518
(CAS_509-60-4 | DIHYDROMORPHINE | NSC_273032)Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O |TLB:13:12:1.2.3:10.9.8| Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
Eur J Pharmacol 492: 123-30 (2004)
Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM85395
(MC-CAM)Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 |r,TLB:25:24:19.5.6:8.14.13,9:8:24:19.5.6,THB:18:19:24:8.14.13| Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rochester
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 304-11 (1999)
BindingDB Entry DOI: 10.7270/Q2MC8XJC |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50021325
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM86520
(6-AcDHM)Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O |TLB:13:12:1.2.3:10.9.8| Show InChI InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3 | PDB
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| 1.83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
Eur J Pharmacol 492: 123-30 (2004)
Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50050482
(10-Amino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0...)Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4| Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17)16(9-15,10-19-2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10,17H2,1-2H3 | PDB
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Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50050482
(10-Amino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0...)Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4| Show InChI InChI=1S/C16H23NO2/c1-15-6-5-14(17)16(9-15,10-19-2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10,17H2,1-2H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM86258
(CAS_23552-18-3 | Morphine | NSC_5980)Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8| 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 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
Eur J Pharmacol 492: 123-30 (2004)
Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(CALF) | BDBM50000092
((-)-(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 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 2 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(CALF) | BDBM50095150
((R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30+/m0/s1 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 1007-13 (1998)
BindingDB Entry DOI: 10.7270/Q2QC022N |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000788
((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 | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000570
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3 | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 1 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50106276
(1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrroli...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26+,27+,28?/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 1007-13 (1998)
BindingDB Entry DOI: 10.7270/Q2QC022N |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000092
((-)-(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 | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(CALF) | BDBM21025
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1 | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000788
((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 | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000569
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1 | PDB
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| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 1 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM86519
(CAS_11221 | Dihydroheroin | NSC_11221)Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O |TLB:13:12:10.9.8:3.2.1| Show InChI InChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3 | PDB
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| 11.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
Eur J Pharmacol 492: 123-30 (2004)
Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM86520
(6-AcDHM)Show SMILES CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O |TLB:13:12:1.2.3:10.9.8| Show InChI InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3 | PDB
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| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Memorial Sloan-Kettering Cancer Center
Curated by PDSP Ki Database
| |
Eur J Pharmacol 492: 123-30 (2004)
Article DOI: 10.1016/j.ejphar.2004.03.050
BindingDB Entry DOI: 10.7270/Q2416VMW |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000570
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 1 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50021325
(4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1 | PDB
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| 13.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM21025
((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1 | PDB
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| 14.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM82090
(DALLE)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1 | PDB
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| 16.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000571
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 1 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000570
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 2 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM81934
(Beta-Endorphin)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C154H248N42O44S/c1-17-82(10)123(150(235)191-121(80(6)7)148(233)181-98(43-28-33-60-159)133(218)185-108(69-115(163)205)138(223)170-83(11)127(212)182-107(68-91-71-165-77-169-91)143(228)177-95(40-25-30-57-156)131(216)174-94(39-24-29-56-155)130(215)168-74-119(209)172-102(154(239)240)50-53-114(162)204)192-128(213)84(12)171-139(224)109(70-116(164)206)184-132(217)96(41-26-31-58-157)176-142(227)106(67-89-37-22-19-23-38-89)183-140(225)103(63-78(2)3)187-151(236)125(86(14)200)194-149(234)122(81(8)9)190-144(229)104(64-79(4)5)186-147(232)112-44-34-61-196(112)153(238)126(87(15)201)195-136(221)99(49-52-113(161)203)178-145(230)110(75-197)188-134(219)97(42-27-32-59-158)175-135(220)100(51-54-120(210)211)179-146(231)111(76-198)189-152(237)124(85(13)199)193-137(222)101(55-62-241-16)180-141(226)105(66-88-35-20-18-21-36-88)173-118(208)73-166-117(207)72-167-129(214)93(160)65-90-45-47-92(202)48-46-90/h18-23,35-38,45-48,71,77-87,93-112,121-126,197-202H,17,24-34,39-44,49-70,72-76,155-160H2,1-16H3,(H2,161,203)(H2,162,204)(H2,163,205)(H2,164,206)(H,165,169)(H,166,207)(H,167,214)(H,168,215)(H,170,223)(H,171,224)(H,172,209)(H,173,208)(H,174,216)(H,175,220)(H,176,227)(H,177,228)(H,178,230)(H,179,231)(H,180,226)(H,181,233)(H,182,212)(H,183,225)(H,184,217)(H,185,218)(H,186,232)(H,187,236)(H,188,219)(H,189,237)(H,190,229)(H,191,235)(H,192,213)(H,193,222)(H,194,234)(H,195,221)(H,210,211)(H,239,240)/t82-,83-,84-,85+,86+,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50050487
(10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo...)Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14| Show InChI InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3 | PDB
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| 25.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50050487
(10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo...)Show SMILES COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 |THB:17:16:20:11.5.4,10:11:20:16.15.14| Show InChI InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3 | PDB
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| 25.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000092
((-)-(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 | PDB
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| 27.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mu-type opioid receptor
(CALF) | BDBM50050479
(3,9-dimethyl-3,5-diazatetracyclo[7.7.1.01,6.010,15...)Show SMILES CN1CNC2CCC3(C)CC2(C1)Cc1ccc(O)cc31 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5| Show InChI InChI=1S/C17H24N2O/c1-16-6-5-15-17(9-16,10-19(2)11-18-15)8-12-3-4-13(20)7-14(12)16/h3-4,7,15,18,20H,5-6,8-11H2,1-2H3 | PDB
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| 27.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000569
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)Show SMILES CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity towards opioid receptor mu 2 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50050484
(10-Amino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0...)Show SMILES CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 |THB:15:16:17:4.2.3,5:4:17:16.10.9| Show InChI InChI=1S/C15H21NO2/c1-14-5-4-13(16)15(8-14,9-17)7-10-2-3-11(18)6-12(10)14/h2-3,6,13,17-18H,4-5,7-9,16H2,1H3 | PDB
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| 40.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50050484
(10-Amino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0...)Show SMILES CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 |THB:15:16:17:4.2.3,5:4:17:16.10.9| Show InChI InChI=1S/C15H21NO2/c1-14-5-4-13(16)15(8-14,9-17)7-10-2-3-11(18)6-12(10)14/h2-3,6,13,17-18H,4-5,7-9,16H2,1H3 | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000571
(3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phen...)Show SMILES C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 |TLB:10:9:1:5.3.4,THB:0:1:9.7.8:5.3.4| Show InChI InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1 | PDB
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity towards opioid receptor mu 2 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000570
(3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol |...)Show SMILES CN1CCC2(CCCC1C2)c1cccc(O)c1 |THB:0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3 | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity towards opioid receptor mu 2 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50000572
(5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]...)Show SMILES CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 |THB:10:9:1.3.2:5.7.6,0:1:9:5.7.6| Show InChI InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1 | PDB
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 1 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50001683
(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 | PDB
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| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Binding affinity of the compound towards opioid receptor mu 1 |
J Med Chem 35: 1521-5 (1992)
BindingDB Entry DOI: 10.7270/Q22806JN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM82090
(DALLE)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1 | PDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stanford University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 214: 395-402 (1980)
BindingDB Entry DOI: 10.7270/Q2NC5ZPR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50050481
(10-Amino-1-methyl-9-methylaminomethyl-tricyclo[7.3...)Show SMILES CNCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 |THB:10:11:18:16.14.15,17:16:18:11.5.4| Show InChI InChI=1S/C16H24N2O/c1-15-6-5-14(17)16(9-15,10-18-2)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,18-19H,5-6,8-10,17H2,1-2H3 | PDB
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| 91.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(CALF) | BDBM50050485
((1R,9R)-9-Methoxymethyl-1,10-dimethyl-10-aza-tricy...)Show InChI InChI=1S/C17H25NO2/c1-16-7-4-8-18(2)17(11-16,12-20-3)10-13-5-6-14(19)9-15(13)16/h5-6,9,19H,4,7-8,10-12H2,1-3H3/t16-,17-/m1/s1 | PDB
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| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description
Activity of the compound was evaluated by inhibition of the binding of 0.8 nM [3H]- DAMGO at Opioid receptor mu 1 binding site |
J Med Chem 39: 1956-66 (1996)
Article DOI: 10.1021/jm950817g
BindingDB Entry DOI: 10.7270/Q2CC0ZR8 |
More data for this
Ligand-Target Pair | |
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