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Compile Data Set for Download or QSAR

Found 884 hits with Last Name = 'takahashi' and Initial = 'm'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149389
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C34H37N5O4/c1-21-17-24(40)18-22(2)26(21)20-27(35)34(43)39-16-8-14-31(39)33(42)38-30(19-23-9-4-3-5-10-23)32(41)37-29-13-6-12-28-25(29)11-7-15-36-28/h3-7,9-13,15,17-18,27,30-31,40H,8,14,16,19-20,35H2,1-2H3,(H,37,41)(H,38,42)/t27-,30-,31-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149381
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H32N4O4/c1-15-11-18(30)12-16(2)19(15)14-20(26)25(33)29-10-6-9-22(29)24(32)28-21(23(27)31)13-17-7-4-3-5-8-17/h3-5,7-8,11-12,20-22,30H,6,9-10,13-14,26H2,1-2H3,(H2,27,31)(H,28,32)/t20-,21-,22-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149398
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C30H35N5O4/c1-19-15-22(36)16-20(2)23(19)18-24(31)30(39)35-14-8-11-26(35)29(38)33-25(17-21-9-4-3-5-10-21)28(37)34-27-12-6-7-13-32-27/h3-7,9-10,12-13,15-16,24-26,36H,8,11,14,17-18,31H2,1-2H3,(H,33,38)(H,32,34,37)/t24-,25-,26-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149384
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H41N5O5/c1-21-16-25(40)17-22(2)26(21)20-27(35)34(44)39-15-9-14-30(39)33(43)38-29(19-24-12-7-4-8-13-24)32(42)37-28(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149396
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C30H35N5O4/c1-19-14-23(36)15-20(2)24(19)17-25(31)30(39)35-13-7-11-27(35)29(38)34-26(16-21-8-4-3-5-9-21)28(37)33-22-10-6-12-32-18-22/h3-6,8-10,12,14-15,18,25-27,36H,7,11,13,16-17,31H2,1-2H3,(H,33,37)(H,34,38)/t25-,26-,27-/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149375
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C34H37N5O4/c1-21-16-25(40)17-22(2)27(21)19-28(35)34(43)39-15-7-12-31(39)33(42)38-30(18-23-8-4-3-5-9-23)32(41)37-29-11-6-10-24-20-36-14-13-26(24)29/h3-6,8-11,13-14,16-17,20,28,30-31,40H,7,12,15,18-19,35H2,1-2H3,(H,37,41)(H,38,42)/t28-,30-,31-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149374
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C34H37N5O4/c1-21-16-26(40)17-22(2)27(21)20-28(35)34(43)39-15-7-11-31(39)33(42)38-30(18-23-8-4-3-5-9-23)32(41)37-25-12-13-29-24(19-25)10-6-14-36-29/h3-6,8-10,12-14,16-17,19,28,30-31,40H,7,11,15,18,20,35H2,1-2H3,(H,37,41)(H,38,42)/t28-,30-,31-/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149394
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C35H38N4O4/c1-22-18-26(40)19-23(2)28(22)21-29(36)35(43)39-17-9-16-32(39)34(42)38-31(20-24-10-4-3-5-11-24)33(41)37-30-15-8-13-25-12-6-7-14-27(25)30/h3-8,10-15,18-19,29,31-32,40H,9,16-17,20-21,36H2,1-2H3,(H,37,41)(H,38,42)/t29-,31-,32-/m0/s1
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0.290n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149386
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C34H37N5O4/c1-21-15-26(40)16-22(2)27(21)19-28(35)34(43)39-14-8-13-31(39)33(42)38-30(17-23-9-4-3-5-10-23)32(41)37-25-18-24-11-6-7-12-29(24)36-20-25/h3-7,9-12,15-16,18,20,28,30-31,40H,8,13-14,17,19,35H2,1-2H3,(H,37,41)(H,38,42)/t28-,30-,31-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149378
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C30H35N5O4/c1-19-15-23(36)16-20(2)24(19)18-25(31)30(39)35-14-6-9-27(35)29(38)34-26(17-21-7-4-3-5-8-21)28(37)33-22-10-12-32-13-11-22/h3-5,7-8,10-13,15-16,25-27,36H,6,9,14,17-18,31H2,1-2H3,(H,34,38)(H,32,33,37)/t25-,26-,27-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149382
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C34H37N5O4/c1-21-17-25(40)18-22(2)26(21)20-27(35)34(43)39-16-8-14-30(39)33(42)38-29(19-23-9-4-3-5-10-23)32(41)37-28-13-6-11-24-12-7-15-36-31(24)28/h3-7,9-13,15,17-18,27,29-30,40H,8,14,16,19-20,35H2,1-2H3,(H,37,41)(H,38,42)/t27-,29-,30-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149385
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H40N4O4/c1-22-18-26(38)19-23(2)27(22)21-28(34)33(41)37-17-9-14-30(37)32(40)36-29(20-25-12-7-4-8-13-25)31(39)35-16-15-24-10-5-3-6-11-24/h3-8,10-13,18-19,28-30,38H,9,14-17,20-21,34H2,1-2H3,(H,35,39)(H,36,40)/t28-,29-,30-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149376
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H38N4O4/c1-21-16-25(37)17-22(2)26(21)19-27(33)32(40)36-15-9-14-29(36)31(39)35-28(18-23-10-5-3-6-11-23)30(38)34-20-24-12-7-4-8-13-24/h3-8,10-13,16-17,27-29,37H,9,14-15,18-20,33H2,1-2H3,(H,34,38)(H,35,39)/t27-,28-,29-/m0/s1
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0.520n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50139013
PNG
((S)-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](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
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
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0.690n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149391
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C31H36N4O4/c1-20-16-24(36)17-21(2)25(20)19-26(32)31(39)35-15-9-14-28(35)30(38)34-27(18-22-10-5-3-6-11-22)29(37)33-23-12-7-4-8-13-23/h3-8,10-13,16-17,26-28,36H,9,14-15,18-19,32H2,1-2H3,(H,33,37)(H,34,38)/t26-,27-,28-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149377
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C33H34N4O4/c34-27(20-23-15-17-25(38)18-16-23)33(41)37-19-7-14-30(37)32(40)36-29(21-22-8-2-1-3-9-22)31(39)35-28-13-6-11-24-10-4-5-12-26(24)28/h1-6,8-13,15-18,27,29-30,38H,7,14,19-21,34H2,(H,35,39)(H,36,40)/t27-,29-,30-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127501
PNG
(3-(4-Carbamimidoyl-2-{2-[4-(pyrrolidine-1-carbonyl...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C24H26N4O6/c25-21(26)18-8-7-17(13-19(29)24(32)33)20(14-18)34-12-9-27-22(30)15-3-5-16(6-4-15)23(31)28-10-1-2-11-28/h3-8,14H,1-2,9-13H2,(H3,25,26)(H,27,30)(H,32,33)
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3n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149402
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C32H33N5O4/c33-25(19-22-13-15-23(38)16-14-22)32(41)37-18-6-12-29(37)31(40)36-28(20-21-7-2-1-3-8-21)30(39)35-27-11-4-10-26-24(27)9-5-17-34-26/h1-5,7-11,13-17,25,28-29,38H,6,12,18-20,33H2,(H,35,39)(H,36,40)/t25-,28-,29-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149397
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H38N4O4/c30-24(18-21-13-15-23(34)16-14-21)29(37)33-17-7-12-26(33)28(36)32-25(19-20-8-3-1-4-9-20)27(35)31-22-10-5-2-6-11-22/h1,3-4,8-9,13-16,22,24-26,34H,2,5-7,10-12,17-19,30H2,(H,31,35)(H,32,36)/t24-,25-,26-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149379
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1C2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:20.21,38.40,1.0,wD:16.18,34.43,36.39,TLB:39:38:40:34.33.35,30:31:33:36.40.35,30:31:40:34.33.35,THB:35:34:31:36.37.40,35:36:31:34.33.39,37:38:33:36.40.35,(-1.86,-8.18,;-1.85,-9.72,;-.51,-10.48,;.8,-9.72,;.8,-8.16,;2.13,-7.39,;3.48,-8.16,;4.8,-7.39,;3.48,-9.71,;2.15,-10.48,;-3.19,-10.48,;-4.52,-9.73,;-3.18,-12.04,;-4.42,-12.95,;-3.95,-14.41,;-2.41,-14.39,;-1.93,-12.93,;-.47,-12.45,;.45,-11.09,;.68,-13.49,;2.14,-13,;2.45,-11.48,;3.92,-11.01,;4.24,-9.51,;5.7,-9.02,;6.85,-10.04,;6.53,-11.55,;5.06,-12.04,;3.29,-14.02,;2.98,-15.53,;4.75,-13.53,;6.25,-13.22,;6.82,-11.9,;7.01,-13.51,;8.19,-14.58,;9.57,-13.93,;9.31,-12.31,;8.62,-13.58,;7.36,-14.22,;7.48,-15.98,;8.19,-11.27,)|
Show InChI InChI=1S/C33H42N4O4/c34-27(18-21-8-10-26(38)11-9-21)33(41)37-12-4-7-29(37)32(40)35-28(19-20-5-2-1-3-6-20)31(39)36-30-24-14-22-13-23(16-24)17-25(30)15-22/h1-3,5-6,8-11,22-25,27-30,38H,4,7,12-19,34H2,(H,35,40)(H,36,39)/t22-,23+,24-,25?,27-,28-,29-,30?/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127492
PNG
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)N[C@@H](COc1cc(ccc1CC(=O)C(O)=O)C(N)=N)CC(O)=O
Show InChI InChI=1S/C28H33N5O8/c1-16(29)33-10-8-22(9-11-33)41-21-6-4-17(5-7-21)27(37)32-20(14-25(35)36)15-40-24-13-19(26(30)31)3-2-18(24)12-23(34)28(38)39/h2-7,13,20,22,29H,8-12,14-15H2,1H3,(H3,30,31)(H,32,37)(H,35,36)(H,38,39)/t20-/m1/s1
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11n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149399
PNG
((S)-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](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C31H36N4O4/c32-26(20-24-13-15-25(36)16-14-24)31(39)35-19-7-12-28(35)30(38)34-27(21-23-10-5-2-6-11-23)29(37)33-18-17-22-8-3-1-4-9-22/h1-6,8-11,13-16,26-28,36H,7,12,17-21,32H2,(H,33,37)(H,34,38)/t26-,27-,28-/m0/s1
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13n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149376
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C32H38N4O4/c1-21-16-25(37)17-22(2)26(21)19-27(33)32(40)36-15-9-14-29(36)31(39)35-28(18-23-10-5-3-6-11-23)30(38)34-20-24-12-7-4-8-13-24/h3-8,10-13,16-17,27-29,37H,9,14-15,18-20,33H2,1-2H3,(H,34,38)(H,35,39)/t27-,28-,29-/m0/s1
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14n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149385
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C33H40N4O4/c1-22-18-26(38)19-23(2)27(22)21-28(34)33(41)37-17-9-14-30(37)32(40)36-29(20-25-12-7-4-8-13-25)31(39)35-16-15-24-10-5-3-6-11-24/h3-8,10-13,18-19,28-30,38H,9,14-17,20-21,34H2,1-2H3,(H,35,39)(H,36,40)/t28-,29-,30-/m0/s1
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18n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127502
PNG
(4-[5-Carbamimidoyl-2-(2-carboxy-2-oxo-ethyl)-pheno...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OC[C@@H](CC(O)=O)NC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C25H29N5O7/c26-23(27)17-2-1-16(11-20(31)25(35)36)21(12-17)37-14-18(13-22(32)33)29-24(34)15-5-9-30(10-6-15)19-3-7-28-8-4-19/h1-4,7-8,12,15,18H,5-6,9-11,13-14H2,(H3,26,27)(H,29,34)(H,32,33)(H,35,36)/t18-/m1/s1
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18n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149394
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C35H38N4O4/c1-22-18-26(40)19-23(2)28(22)21-29(36)35(43)39-17-9-16-32(39)34(42)38-31(20-24-10-4-3-5-11-24)33(41)37-30-15-8-13-25-12-6-7-14-27(25)30/h3-8,10-15,18-19,29,31-32,40H,9,16-17,20-21,36H2,1-2H3,(H,37,41)(H,38,42)/t29-,31-,32-/m0/s1
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20n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127495
PNG
(3-[4-Carbamimidoyl-2-(2-{4-[1-(1-imino-ethyl)-pipe...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N
Show InChI InChI=1S/C26H31N5O6/c1-16(27)31-11-8-21(9-12-31)37-20-6-4-17(5-7-20)25(33)30-10-13-36-23-15-19(24(28)29)3-2-18(23)14-22(32)26(34)35/h2-7,15,21,27H,8-14H2,1H3,(H3,28,29)(H,30,33)(H,34,35)
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20n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127504
PNG
(CHEMBL55770 | N-[2-(3-Carbamimidoyl-phenoxy)-ethyl...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)C(=O)N2CCCC2)c1
Show InChI InChI=1S/C21H24N4O3/c22-19(23)17-4-3-5-18(14-17)28-13-10-24-20(26)15-6-8-16(9-7-15)21(27)25-11-1-2-12-25/h3-9,14H,1-2,10-13H2,(H3,22,23)(H,24,26)
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20n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149383
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H36N4O4/c1-27(2,3)30-24(33)22(17-18-8-5-4-6-9-18)29-25(34)23-10-7-15-31(23)26(35)21(28)16-19-11-13-20(32)14-12-19/h4-6,8-9,11-14,21-23,32H,7,10,15-17,28H2,1-3H3,(H,29,34)(H,30,33)/t21-,22-,23-/m0/s1
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20n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149391
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C31H36N4O4/c1-20-16-24(36)17-21(2)25(20)19-26(32)31(39)35-15-9-14-28(35)30(38)34-27(18-22-10-5-3-6-11-22)29(37)33-23-12-7-4-8-13-23/h3-8,10-13,16-17,26-28,36H,9,14-15,18-19,32H2,1-2H3,(H,33,37)(H,34,38)/t26-,27-,28-/m0/s1
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21n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127494
PNG
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)
Show SMILES NC(=N)c1ccc(CC(=O)C(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C23H27N5O5/c24-21(25)17-2-1-16(13-19(29)23(31)32)20(14-17)33-12-9-27-22(30)15-5-10-28(11-6-15)18-3-7-26-8-4-18/h1-4,7-8,14-15H,5-6,9-13H2,(H3,24,25)(H,27,30)(H,31,32)
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21n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149404
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C30H34N4O4/c31-25(18-22-13-15-24(35)16-14-22)30(38)34-17-7-12-27(34)29(37)33-26(19-21-8-3-1-4-9-21)28(36)32-20-23-10-5-2-6-11-23/h1-6,8-11,13-16,25-27,35H,7,12,17-20,31H2,(H,32,36)(H,33,37)/t25-,26-,27-/m0/s1
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22n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149400
PNG
((S)-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](Cc1ccccc1)C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:34:35:39:33.32.38,THB:34:33:39:35.40.36|
Show InChI InChI=1S/C33H42N4O4/c34-27(16-22-8-10-26(38)11-9-22)32(41)37-12-4-7-29(37)31(40)35-28(17-21-5-2-1-3-6-21)30(39)36-33-18-23-13-24(19-33)15-25(14-23)20-33/h1-3,5-6,8-11,23-25,27-29,38H,4,7,12-20,34H2,(H,35,40)(H,36,39)/t23-,24+,25-,27-,28-,29-,33?/m0/s1
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24n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127498
PNG
(3-{4-Carbamimidoyl-2-[2-(4-carbamimidoyl-benzoylam...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)NCCOc1cc(ccc1CC(=O)C(O)=O)C(N)=N
Show InChI InChI=1S/C20H21N5O5/c21-17(22)11-1-3-12(4-2-11)19(27)25-7-8-30-16-10-14(18(23)24)6-5-13(16)9-15(26)20(28)29/h1-6,10H,7-9H2,(H3,21,22)(H3,23,24)(H,25,27)(H,28,29)
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26n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149388
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C28H31N5O4/c29-22(17-20-11-13-21(34)14-12-20)28(37)33-16-6-9-24(33)27(36)31-23(18-19-7-2-1-3-8-19)26(35)32-25-10-4-5-15-30-25/h1-5,7-8,10-15,22-24,34H,6,9,16-18,29H2,(H,31,36)(H,30,32,35)/t22-,23-,24-/m0/s1
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27n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127503
PNG
(3-(4-Carbamimidoyl-benzoylamino)-4-(3-carbamimidoy...)
Show SMILES NC(=N)c1ccc(cc1)C(=O)N[C@@H](COc1cccc(c1)C(N)=N)CC(O)=O
Show InChI InChI=1S/C19H21N5O4/c20-17(21)11-4-6-12(7-5-11)19(27)24-14(9-16(25)26)10-28-15-3-1-2-13(8-15)18(22)23/h1-8,14H,9-10H2,(H3,20,21)(H3,22,23)(H,24,27)(H,25,26)/t14-/m1/s1
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28n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149384
PNG
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H41N5O5/c1-21-16-25(40)17-22(2)26(21)20-27(35)34(44)39-15-9-14-30(39)33(43)38-29(19-24-12-7-4-8-13-24)32(42)37-28(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1
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28n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149389
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2ncccc12
Show InChI InChI=1S/C34H37N5O4/c1-21-17-24(40)18-22(2)26(21)20-27(35)34(43)39-16-8-14-31(39)33(42)38-30(19-23-9-4-3-5-10-23)32(41)37-29-13-6-12-28-25(29)11-7-15-36-28/h3-7,9-13,15,17-18,27,30-31,40H,8,14,16,19-20,35H2,1-2H3,(H,37,41)(H,38,42)/t27-,30-,31-/m0/s1
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30n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149382
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C34H37N5O4/c1-21-17-25(40)18-22(2)26(21)20-27(35)34(43)39-16-8-14-30(39)33(42)38-29(19-23-9-4-3-5-10-23)32(41)37-28-13-6-11-24-12-7-15-36-31(24)28/h3-7,9-13,15,17-18,27,29-30,40H,8,14,16,19-20,35H2,1-2H3,(H,37,41)(H,38,42)/t27-,29-,30-/m0/s1
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33n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149403
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C29H32N4O4/c30-24(18-21-13-15-23(34)16-14-21)29(37)33-17-7-12-26(33)28(36)32-25(19-20-8-3-1-4-9-20)27(35)31-22-10-5-2-6-11-22/h1-6,8-11,13-16,24-26,34H,7,12,17-19,30H2,(H,31,35)(H,32,36)/t24-,25-,26-/m0/s1
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34n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50127493
PNG
(3-(4-Carbamimidoyl-2-{2-[(3,4,5,6-tetrahydro-2H-[1...)
Show SMILES NC(=N)c1ccc(CCC(O)=O)c(OCCNC(=O)C2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C23H29N5O4/c24-22(25)18-2-1-16(3-4-21(29)30)20(15-18)32-14-11-27-23(31)17-7-12-28(13-8-17)19-5-9-26-10-6-19/h1-2,5-6,9-10,15,17H,3-4,7-8,11-14H2,(H3,24,25)(H,27,31)(H,29,30)
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43n/an/an/an/an/an/an/an/a



Ajinomoto Company Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X (fXa)


J Med Chem 46: 1845-57 (2003)


Article DOI: 10.1021/jm020485x
BindingDB Entry DOI: 10.7270/Q2PZ586C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149380
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H28N4O4/c24-18(13-16-8-10-17(28)11-9-16)23(31)27-12-4-7-20(27)22(30)26-19(21(25)29)14-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-20,28H,4,7,12-14,24H2,(H2,25,29)(H,26,30)/t18-,19-,20-/m0/s1
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46n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149374
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C34H37N5O4/c1-21-16-26(40)17-22(2)27(21)20-28(35)34(43)39-15-7-11-31(39)33(42)38-30(18-23-8-4-3-5-9-23)32(41)37-25-12-13-29-24(19-25)10-6-14-36-29/h3-6,8-10,12-14,16-17,19,28,30-31,40H,7,11,15,18,20,35H2,1-2H3,(H,37,41)(H,38,42)/t28-,30-,31-/m0/s1
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47n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149390
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C28H31N5O4/c29-23(17-20-8-10-22(34)11-9-20)28(37)33-16-4-7-25(33)27(36)32-24(18-19-5-2-1-3-6-19)26(35)31-21-12-14-30-15-13-21/h1-3,5-6,8-15,23-25,34H,4,7,16-18,29H2,(H,32,36)(H,30,31,35)/t23-,24-,25-/m0/s1
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48n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149401
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C28H31N5O4/c29-23(16-20-10-12-22(34)13-11-20)28(37)33-15-5-9-25(33)27(36)32-24(17-19-6-2-1-3-7-19)26(35)31-21-8-4-14-30-18-21/h1-4,6-8,10-14,18,23-25,34H,5,9,15-17,29H2,(H,31,35)(H,32,36)/t23-,24-,25-/m0/s1
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49n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149381
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C25H32N4O4/c1-15-11-18(30)12-16(2)19(15)14-20(26)25(33)29-10-6-9-22(29)24(32)28-21(23(27)31)13-17-7-4-3-5-8-17/h3-5,7-8,11-12,20-22,30H,6,9-10,13-14,26H2,1-2H3,(H2,27,31)(H,28,32)/t20-,21-,22-/m0/s1
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53n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50149378
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C30H35N5O4/c1-19-15-23(36)16-20(2)24(19)18-25(31)30(39)35-14-6-9-27(35)29(38)34-26(17-21-7-4-3-5-8-21)28(37)33-22-10-12-32-13-11-22/h3-5,7-8,10-13,15-16,25-27,36H,6,9,14,17-18,31H2,1-2H3,(H,34,38)(H,32,33,37)/t25-,26-,27-/m0/s1
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53n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain opioid receptor delta 1 using [3H]-DPDPE radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149387
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1
Show InChI InChI=1S/C32H33N5O4/c33-26(17-22-12-14-25(38)15-13-22)32(41)37-16-6-11-29(37)31(40)36-28(18-21-7-2-1-3-8-21)30(39)35-24-19-23-9-4-5-10-27(23)34-20-24/h1-5,7-10,12-15,19-20,26,28-29,38H,6,11,16-18,33H2,(H,35,39)(H,36,40)/t26-,28-,29-/m0/s1
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56n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149395
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C32H33N5O4/c33-26(18-22-11-13-24(38)14-12-22)32(41)37-17-5-10-29(37)31(40)36-28(19-21-6-2-1-3-7-21)30(39)35-27-9-4-8-23-20-34-16-15-25(23)27/h1-4,6-9,11-16,20,26,28-29,38H,5,10,17-19,33H2,(H,35,39)(H,36,40)/t26-,28-,29-/m0/s1
PDB

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61n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50149393
PNG
(1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyr...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C32H33N5O4/c33-26(18-22-10-13-25(38)14-11-22)32(41)37-17-5-9-29(37)31(40)36-28(19-21-6-2-1-3-7-21)30(39)35-24-12-15-27-23(20-24)8-4-16-34-27/h1-4,6-8,10-16,20,26,28-29,38H,5,9,17-19,33H2,(H,35,39)(H,36,40)/t26-,28-,29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
73n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity against rat brain Opioid receptor mu 1 using [3H]-DAMGO radioligand


J Med Chem 47: 3591-9 (2004)


Article DOI: 10.1021/jm030649p
BindingDB Entry DOI: 10.7270/Q2W095DJ
More data for this
Ligand-Target Pair
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