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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'kavash' and Initial = 'rw'   
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))
BDBM50393725
PNG
(CHEMBL2159117)
Show SMILES CC(C)N([C@@H](C)c1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C25H32N4O2/c1-15(2)29(18(5)24-27-14-23(28-24)19-9-7-6-8-10-19)25(31)22(26)13-21-16(3)11-20(30)12-17(21)4/h6-12,14-15,18,22,30H,13,26H2,1-5H3,(H,27,28)/t18-,22-/s2
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0.0300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393719
PNG
(CHEMBL2159118)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C29H32N4O2/c1-19-14-24(34)15-20(2)25(19)16-26(30)29(35)33(18-22-10-6-4-7-11-22)21(3)28-31-17-27(32-28)23-12-8-5-9-13-23/h4-15,17,21,26,34H,16,18,30H2,1-3H3,(H,31,32)/t21-,26-/s2
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0.0300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182939
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182943
PNG
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182942
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393716
PNG
(CHEMBL2159115)
Show SMILES CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/s2
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0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393717
PNG
(CHEMBL2159116)
Show SMILES C[C@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C23H28N4O2/c1-14-10-18(28)11-15(2)19(14)12-20(24)23(29)27(4)16(3)22-25-13-21(26-22)17-8-6-5-7-9-17/h5-11,13,16,20,28H,12,24H2,1-4H3,(H,25,26)/t16-,20-/s2
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0.100n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182946
PNG
(4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazo...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H31N5O2/c1-16-12-19(24(28)32)13-17(2)20(16)14-21(27)26(33)31-11-7-6-10-23(31)25-29-15-22(30-25)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23H,6-7,10-11,14,27H2,1-2H3,(H2,28,32)(H,29,30)/t21-,23-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393721
PNG
(CHEMBL2159114)
Show SMILES CN(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C22H26N4O2/c1-14-9-17(27)10-15(2)18(14)11-19(23)22(28)26(3)13-21-24-12-20(25-21)16-7-5-4-6-8-16/h4-10,12,19,27H,11,13,23H2,1-3H3,(H,24,25)/t19-/s2
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0.300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393722
PNG
(CHEMBL2159119)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C30H33N5O2/c1-19-14-24(28(32)36)15-20(2)25(19)16-26(31)30(37)35(18-22-10-6-4-7-11-22)21(3)29-33-17-27(34-29)23-12-8-5-9-13-23/h4-15,17,21,26H,16,18,31H2,1-3H3,(H2,32,36)(H,33,34)/t21-,26-/s2
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0.300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182942
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C29H30N4O2/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(35)33-17-22-11-7-6-10-21(22)14-27(33)28-31-16-26(32-28)20-8-4-3-5-9-20/h3-13,16,25,27,34H,14-15,17,30H2,1-2H3,(H,31,32)/t25-,27-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393724
PNG
(CHEMBL2159120)
Show SMILES C[C@H](N(Cc1cccc(c1)C(O)=O)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C31H33N5O4/c1-18-12-24(28(33)37)13-19(2)25(18)15-26(32)30(38)36(17-21-8-7-11-23(14-21)31(39)40)20(3)29-34-16-27(35-29)22-9-5-4-6-10-22/h4-14,16,20,26H,15,17,32H2,1-3H3,(H2,33,37)(H,34,35)(H,39,40)/t20-,26-/s2
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0.5n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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0.900n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393724
PNG
(CHEMBL2159120)
Show SMILES C[C@H](N(Cc1cccc(c1)C(O)=O)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C31H33N5O4/c1-18-12-24(28(33)37)13-19(2)25(18)15-26(32)30(38)36(17-21-8-7-11-23(14-21)31(39)40)20(3)29-34-16-27(35-29)22-9-5-4-6-10-22/h4-14,16,20,26H,15,17,32H2,1-3H3,(H2,33,37)(H,34,35)(H,39,40)/t20-,26-/s2
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1n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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1.30n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50182943
PNG
(4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazo...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C30H31N5O2/c1-18-12-23(28(32)36)13-19(2)24(18)15-25(31)30(37)35-17-22-11-7-6-10-21(22)14-27(35)29-33-16-26(34-29)20-8-4-3-5-9-20/h3-13,16,25,27H,14-15,17,31H2,1-2H3,(H2,32,36)(H,33,34)/t25-,27-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393725
PNG
(CHEMBL2159117)
Show SMILES CC(C)N([C@@H](C)c1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C25H32N4O2/c1-15(2)29(18(5)24-27-14-23(28-24)19-9-7-6-8-10-19)25(31)22(26)13-21-16(3)11-20(30)12-17(21)4/h6-12,14-15,18,22,30H,13,26H2,1-5H3,(H,27,28)/t18-,22-/s2
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1.40n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393719
PNG
(CHEMBL2159118)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C29H32N4O2/c1-19-14-24(34)15-20(2)25(19)16-26(30)29(35)33(18-22-10-6-4-7-11-22)21(3)28-31-17-27(32-28)23-12-8-5-9-13-23/h4-15,17,21,26,34H,16,18,30H2,1-3H3,(H,31,32)/t21-,26-/s2
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1.5n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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1.70n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182939
PNG
((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-((S...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H30N4O2/c1-16-12-19(30)13-17(2)20(16)14-21(26)25(31)29-11-7-6-10-23(29)24-27-15-22(28-24)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23,30H,6-7,10-11,14,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393722
PNG
(CHEMBL2159119)
Show SMILES C[C@H](N(Cc1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(cc1C)C(N)=O)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C30H33N5O2/c1-19-14-24(28(32)36)15-20(2)25(19)16-26(31)30(37)35(18-22-10-6-4-7-11-22)21(3)29-33-17-27(34-29)23-12-8-5-9-13-23/h4-15,17,21,26H,16,18,31H2,1-3H3,(H2,32,36)(H,33,34)/t21-,26-/s2
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12n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393727
PNG
(CHEMBL2159113)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C28H30N4O2/c1-18-13-22(33)14-19(2)23(18)16-24(29)28(34)32-25(15-20-9-5-3-6-10-20)27-30-17-26(31-27)21-11-7-4-8-12-21/h3-14,17,24-25,33H,15-16,29H2,1-2H3,(H,30,31)(H,32,34)/t24-,25-/s2
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13n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50182946
PNG
(4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazo...)
Show SMILES Cc1cc(cc(C)c1C[C@H](N)C(=O)N1CCCC[C@H]1c1nc(c[nH]1)-c1ccccc1)C(N)=O
Show InChI InChI=1S/C26H31N5O2/c1-16-12-19(24(28)32)13-17(2)20(16)14-21(27)26(33)31-11-7-6-10-23(31)25-29-15-22(30-25)18-8-4-3-5-9-18/h3-5,8-9,12-13,15,21,23H,6-7,10-11,14,27H2,1-2H3,(H2,28,32)(H,29,30)/t21-,23-/m0/s1
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14n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393716
PNG
(CHEMBL2159115)
Show SMILES CC(C)N(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C24H30N4O2/c1-15(2)28(14-23-26-13-22(27-23)18-8-6-5-7-9-18)24(30)21(25)12-20-16(3)10-19(29)11-17(20)4/h5-11,13,15,21,29H,12,14,25H2,1-4H3,(H,26,27)/t21-/s2
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15n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393717
PNG
(CHEMBL2159116)
Show SMILES C[C@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C23H28N4O2/c1-14-10-18(28)11-15(2)19(14)12-20(24)23(29)27(4)16(3)22-25-13-21(26-22)17-8-6-5-7-9-17/h5-11,13,16,20,28H,12,24H2,1-4H3,(H,25,26)/t16-,20-/s2
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15n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393718
PNG
(CHEMBL2159111)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C22H26N4O2/c1-13-9-17(27)10-14(2)18(13)11-19(23)22(28)25-15(3)21-24-12-20(26-21)16-7-5-4-6-8-16/h4-10,12,15,19,27H,11,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,19-/s2
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17n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393721
PNG
(CHEMBL2159114)
Show SMILES CN(Cc1nc(c[nH]1)-c1ccccc1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1/C22H26N4O2/c1-14-9-17(27)10-15(2)18(14)11-19(23)22(28)26(3)13-21-24-12-20(25-21)16-7-5-4-6-8-16/h4-10,12,19,27H,11,13,23H2,1-3H3,(H,24,25)/t19-/s2
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26n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50393720
PNG
(CHEMBL2159122 | CHEMBL3216329)
Show SMILES Cl.Cl.COc1ccc(CN(C(C)c2nc(c[nH]2)-c2ccccc2)C(=O)C(N)Cc2c(C)cc(cc2C)C(N)=O)cc1C(O)=O
Show InChI InChI=1/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H
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55n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig kappa opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154036
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(4-phenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c28-23(14-18-10-12-22(32)13-11-18)27(33)31-17-21-9-5-4-8-20(21)15-25(31)26-29-16-24(30-26)19-6-2-1-3-7-19/h1-13,16,23,25,32H,14-15,17,28H2,(H,29,30)/t23-,25-/m0/s1
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55n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393726
PNG
(CHEMBL2159112)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/s2
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121n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393727
PNG
(CHEMBL2159113)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C28H30N4O2/c1-18-13-22(33)14-19(2)23(18)16-24(29)28(34)32-25(15-20-9-5-3-6-10-20)27-30-17-26(31-27)21-11-7-4-8-12-21/h3-14,17,24-25,33H,15-16,29H2,1-2H3,(H,30,31)(H,32,34)/t24-,25-/s2
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255n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393718
PNG
(CHEMBL2159111)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C22H26N4O2/c1-13-9-17(27)10-14(2)18(13)11-19(23)22(28)25-15(3)21-24-12-20(26-21)16-7-5-4-6-8-16/h4-10,12,15,19,27H,11,23H2,1-3H3,(H,24,26)(H,25,28)/t15-,19-/s2
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708n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393728
PNG
(CHEMBL2159015)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C20H22N4O2/c1-13(19-22-12-18(24-19)15-5-3-2-4-6-15)23-20(26)17(21)11-14-7-9-16(25)10-8-14/h2-10,12-13,17,25H,11,21H2,1H3,(H,22,24)(H,23,26)/t13-,17-/s2
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1.26E+3n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat mu opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393726
PNG
(CHEMBL2159112)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C24H30N4O2/c1-14(2)22(23-26-13-21(27-23)17-8-6-5-7-9-17)28-24(30)20(25)12-19-15(3)10-18(29)11-16(19)4/h5-11,13-14,20,22,29H,12,25H2,1-4H3,(H,26,27)(H,28,30)/t20-,22-/s2
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5.20E+3n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393728
PNG
(CHEMBL2159015)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1/C20H22N4O2/c1-13(19-22-12-18(24-19)15-5-3-2-4-6-15)23-20(26)17(21)11-14-7-9-16(25)10-8-14/h2-10,12-13,17,25H,11,21H2,1H3,(H,22,24)(H,23,26)/t13-,17-/s2
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5.66E+3n/an/an/an/an/an/an/an/a



Janssen Research and Development, L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to rat delta opioid receptor


Bioorg Med Chem Lett 22: 4869-72 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.042
BindingDB Entry DOI: 10.7270/Q2F76DP8
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136661
PNG
((R)-2-Amino-1-[(S)-2-(5-propyl-1H-imidazol-2-yl)-2...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2ccccc2N1C(=O)[C@H](N)CC
Show InChI InChI=1S/C18H24N4O/c1-3-7-13-11-20-17(21-13)16-10-12-8-5-6-9-15(12)22(16)18(23)14(19)4-2/h5-6,8-9,11,14,16H,3-4,7,10,19H2,1-2H3,(H,20,21)/t14-,16+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136662
PNG
((S)-2-Amino-1-[(S)-2-(5-propyl-1H-imidazol-2-yl)-2...)
Show SMILES CCC[C@H](N)C(=O)N1[C@@H](Cc2ccccc12)c1ncc(CCC)[nH]1
Show InChI InChI=1S/C19H26N4O/c1-3-7-14-12-21-18(22-14)17-11-13-9-5-6-10-16(13)23(17)19(24)15(20)8-4-2/h5-6,9-10,12,15,17H,3-4,7-8,11,20H2,1-2H3,(H,21,22)/t15-,17-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136644
PNG
((S)-2-Amino-1-[(S)-5-chloro-2-(5-propyl-1H-imidazo...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2cc(Cl)ccc2N1C(=O)[C@H](C)N
Show InChI InChI=1S/C17H21ClN4O/c1-3-4-13-9-20-16(21-13)15-8-11-7-12(18)5-6-14(11)22(15)17(23)10(2)19/h5-7,9-10,15H,3-4,8,19H2,1-2H3,(H,20,21)/t10-,15-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136648
PNG
((S)-2-Amino-1-[(S)-2-(5-propyl-1H-imidazol-2-yl)-2...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2ccccc2N1C(=O)[C@H](C)N
Show InChI InChI=1S/C17H22N4O/c1-3-6-13-10-19-16(20-13)15-9-12-7-4-5-8-14(12)21(15)17(22)11(2)18/h4-5,7-8,10-11,15H,3,6,9,18H2,1-2H3,(H,19,20)/t11-,15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136667
PNG
(2-Amino-1-[(S)-5-chloro-2-(5-propyl-1H-imidazol-2-...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2cc(Cl)ccc2N1C(=O)CN
Show InChI InChI=1S/C16H19ClN4O/c1-2-3-12-9-19-16(20-12)14-7-10-6-11(17)4-5-13(10)21(14)15(22)8-18/h4-6,9,14H,2-3,7-8,18H2,1H3,(H,19,20)/t14-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136645
PNG
((S)-2-Amino-1-[(S)-5-methoxy-2-(5-propyl-1H-imidaz...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2cc(OC)ccc2N1C(=O)[C@H](C)N
Show InChI InChI=1S/C18H24N4O2/c1-4-5-13-10-20-17(21-13)16-9-12-8-14(24-3)6-7-15(12)22(16)18(23)11(2)19/h6-8,10-11,16H,4-5,9,19H2,1-3H3,(H,20,21)/t11-,16-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136654
PNG
((S)-2-Amino-3-methyl-1-[(S)-2-(5-propyl-1H-imidazo...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2ccccc2N1C(=O)[C@@H](N)C(C)C
Show InChI InChI=1S/C19H26N4O/c1-4-7-14-11-21-18(22-14)16-10-13-8-5-6-9-15(13)23(16)19(24)17(20)12(2)3/h5-6,8-9,11-12,16-17H,4,7,10,20H2,1-3H3,(H,21,22)/t16-,17-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50121285
PNG
((S)-2-Amino-1-[(S)-2-(5-ethyl-1H-imidazol-2-yl)-2,...)
Show SMILES CCc1cnc([nH]1)[C@@H]1Cc2ccccc2N1C(=O)[C@H](C)N
Show InChI InChI=1S/C16H20N4O/c1-3-12-9-18-15(19-12)14-8-11-6-4-5-7-13(11)20(14)16(21)10(2)17/h4-7,9-10,14H,3,8,17H2,1-2H3,(H,18,19)/t10-,14-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136663
PNG
(2-Amino-1-[(S)-2-(5-propyl-1H-imidazol-2-yl)-2,3-d...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2ccccc2N1C(=O)CN
Show InChI InChI=1S/C16H20N4O/c1-2-5-12-10-18-16(19-12)14-8-11-6-3-4-7-13(11)20(14)15(21)9-17/h3-4,6-7,10,14H,2,5,8-9,17H2,1H3,(H,18,19)/t14-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136636
PNG
(2-Amino-1-[(S)-5-fluoro-2-(5-propyl-1H-imidazol-2-...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2cc(F)ccc2N1C(=O)CN
Show InChI InChI=1S/C16H19FN4O/c1-2-3-12-9-19-16(20-12)14-7-10-6-11(17)4-5-13(10)21(14)15(22)8-18/h4-6,9,14H,2-3,7-8,18H2,1H3,(H,19,20)/t14-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136666
PNG
(2-Amino-1-[(S)-2-(5-butyl-1H-imidazol-2-yl)-2,3-di...)
Show SMILES CCCCc1cnc([nH]1)[C@@H]1Cc2ccccc2N1C(=O)CN
Show InChI InChI=1S/C17H22N4O/c1-2-3-7-13-11-19-17(20-13)15-9-12-6-4-5-8-14(12)21(15)16(22)10-18/h4-6,8,11,15H,2-3,7,9-10,18H2,1H3,(H,19,20)/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136656
PNG
(2-Amino-1-[(S)-2-(4-methyl-5-propyl-1H-imidazol-2-...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2N1C(=O)CN
Show InChI InChI=1S/C17H22N4O/c1-3-6-13-11(2)19-17(20-13)15-9-12-7-4-5-8-14(12)21(15)16(22)10-18/h4-5,7-8,15H,3,6,9-10,18H2,1-2H3,(H,19,20)/t15-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136660
PNG
(2-Amino-1-[(S)-5-methoxy-2-(5-propyl-1H-imidazol-2...)
Show SMILES CCCc1cnc([nH]1)[C@@H]1Cc2cc(OC)ccc2N1C(=O)CN
Show InChI InChI=1S/C17H22N4O2/c1-3-4-12-10-19-17(20-12)15-8-11-7-13(23-2)5-6-14(11)21(15)16(22)9-18/h5-7,10,15H,3-4,8-9,18H2,1-2H3,(H,19,20)/t15-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50136651
PNG
(({2-[(S)-1-(2-Amino-acetyl)-2,3-dihydro-1H-indol-2...)
Show SMILES CCCc1nc([nH]c1C(=O)NCC(=O)OC)[C@@H]1Cc2ccccc2N1C(=O)CN
Show InChI InChI=1S/C20H25N5O4/c1-3-6-13-18(20(28)22-11-17(27)29-2)24-19(23-13)15-9-12-7-4-5-8-14(12)25(15)16(26)10-21/h4-5,7-8,15H,3,6,9-11,21H2,1-2H3,(H,22,28)(H,23,24)/t15-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Tripeptidyl-peptidase II purified from a rat liver post-lysosomal fraction.


Bioorg Med Chem Lett 13: 4467-71 (2003)


Article DOI: 10.1016/j.bmcl.2003.09.014
BindingDB Entry DOI: 10.7270/Q289159P
More data for this
Ligand-Target Pair
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