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Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'palmer' and Initial = 'jm'   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154039
PNG
(2-Amino-1-[3-(5-bromo-4-phenyl-1H-imidazol-2-yl)-3...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c(Br)[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H25BrN4O2/c28-25-24(18-6-2-1-3-7-18)30-26(31-25)23-15-19-8-4-5-9-20(19)16-32(23)27(34)22(29)14-17-10-12-21(33)13-11-17/h1-13,22-23,33H,14-16,29H2,(H,30,31)/t22-,23-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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0.160n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154041
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H28N4O2/c1-16-22(18-7-3-2-4-8-18)27-23(26-16)21-9-5-6-14-28(21)24(30)20(25)15-17-10-12-19(29)13-11-17/h2-4,7-8,10-13,20-21,29H,5-6,9,14-15,25H2,1H3,(H,26,27)/t20-,21-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154042
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154039
PNG
(2-Amino-1-[3-(5-bromo-4-phenyl-1H-imidazol-2-yl)-3...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc(c(Br)[nH]1)-c1ccccc1
Show InChI InChI=1S/C27H25BrN4O2/c28-25-24(18-6-2-1-3-7-18)30-26(31-25)23-15-19-8-4-5-9-20(19)16-32(23)27(34)22(29)14-17-10-12-21(33)13-11-17/h1-13,22-23,33H,14-16,29H2,(H,30,31)/t22-,23-/m0/s1
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12n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154041
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-2-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C24H28N4O2/c1-16-22(18-7-3-2-4-8-18)27-23(26-16)21-9-5-6-14-28(21)24(30)20(25)15-17-10-12-19(29)13-11-17/h2-4,7-8,10-13,20-21,29H,5-6,9,14-15,25H2,1H3,(H,26,27)/t20-,21-/m0/s1
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22n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154037
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-methyl-4-phen...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C23H26N4O2/c1-15-21(17-6-3-2-4-7-17)26-22(25-15)20-8-5-13-27(20)23(29)19(24)14-16-9-11-18(28)12-10-16/h2-4,6-7,9-12,19-20,28H,5,8,13-14,24H2,1H3,(H,25,26)/t19-,20-/m0/s1
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154040
PNG
(2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1
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50n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154040
PNG
(2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1
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50n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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50n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
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



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154042
PNG
(2-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C27H29N3O3/c28-24(16-20-10-12-23(31)13-11-20)27(33)30-18-22-9-5-4-8-21(22)17-25(30)26(32)29-15-14-19-6-2-1-3-7-19/h1-13,24-25,31H,14-18,28H2,(H,29,32)/t24-,25-/m0/s1
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69n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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86n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154035
PNG
((S)-2-amino-3-(4-hydroxyphenyl)-1-((S)-3-(5-methyl...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C28H28N4O2/c1-18-26(20-7-3-2-4-8-20)31-27(30-18)25-16-21-9-5-6-10-22(21)17-32(25)28(34)24(29)15-19-11-13-23(33)14-12-19/h2-14,24-25,33H,15-17,29H2,1H3,(H,30,31)/t24-,25-/m0/s1
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86n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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>100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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>100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154040
PNG
(2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1
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>100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154038
PNG
(2-Amino-1-[2-(4-propyl-1H-imidazol-2-yl)-2,3-dihyd...)
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-/m0/s1
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>100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154037
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[2-(5-methyl-4-phen...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C23H26N4O2/c1-15-21(17-6-3-2-4-7-17)26-22(25-15)20-8-5-13-27(20)23(29)19(24)14-16-9-11-18(28)12-10-16/h2-4,6-7,9-12,19-20,28H,5,8,13-14,24H2,1H3,(H,25,26)/t19-,20-/m0/s1
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>100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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>100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154038
PNG
(2-Amino-1-[2-(4-propyl-1H-imidazol-2-yl)-2,3-dihyd...)
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-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154034
PNG
(2-Amino-3-(4-hydroxy-phenyl)-1-[3-(5-methyl-4-prop...)
Show SMILES CCCc1nc([nH]c1C)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C25H30N4O2/c1-3-6-22-16(2)27-24(28-22)23-14-18-7-4-5-8-19(18)15-29(23)25(31)21(26)13-17-9-11-20(30)12-10-17/h4-5,7-12,21,23,30H,3,6,13-15,26H2,1-2H3,(H,27,28)/t21-,23-/m0/s1
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>100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50154040
PNG
(2-Amino-1-[3-(1H-benzoimidazol-2-yl)-3,4-dihydro-1...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O2/c26-20(13-16-9-11-19(30)12-10-16)25(31)29-15-18-6-2-1-5-17(18)14-23(29)24-27-21-7-3-4-8-22(21)28-24/h1-12,20,23,30H,13-15,26H2,(H,27,28)/t20-,23-/m0/s1
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for Mu opioid receptor of rat brain


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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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124n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for kappa opioid receptor of guinea pig cerebellum


J Med Chem 47: 5009-20 (2004)


Article DOI: 10.1021/jm030548r
BindingDB Entry DOI: 10.7270/Q2H131GF
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294596
PNG
(1-(2-(5-(4-chlorobenzyl)-1-(4-methoxybenzyl)-4,6-d...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(Cl)cc3)c2=O)cc1
Show InChI InChI=1S/C21H24ClN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294589
PNG
(1-(2-(1,5-bis(4-methoxybenzyl)-4,6-dioxo-1,4,5,6-t...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(-[#8]-[#6])cc3)c2=O)cc1
Show InChI InChI=1S/C22H27N7O4/c1-32-17-7-3-15(4-8-17)13-28-20(26-12-11-25-19(23)24)27-21(30)29(22(28)31)14-16-5-9-18(33-2)10-6-16/h3-10H,11-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 21n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294586
PNG
(1-(2-(5-(3,4-dichlorobenzyl)-1-(4-methoxybenzyl)-4...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(Cl)c(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C21H23Cl2N7O3/c1-33-15-5-2-13(3-6-15)11-29-19(27-9-8-26-18(24)25)28-20(31)30(21(29)32)12-14-4-7-16(22)17(23)10-14/h2-7,10H,8-9,11-12H2,1H3,(H4,24,25,26)(H,27,28,31)
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n/an/a 22n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294601
PNG
(1-(2-(1-(4-hydroxybenzyl)-5-(4-methoxybenzyl)-4,6-...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])n(-[#6]-c3ccc(-[#8])cc3)c2=O)cc1
Show InChI InChI=1S/C21H25N7O4/c1-32-17-8-4-15(5-9-17)13-28-20(30)26-19(25-11-10-24-18(22)23)27(21(28)31)12-14-2-6-16(29)7-3-14/h2-9,29H,10-13H2,1H3,(H4,22,23,24)(H,25,26,30)
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n/an/a 27n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294585
PNG
(1-(2-(5-(4-fluorobenzyl)-1-(4-methoxybenzyl)-4,6-d...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(F)cc3)c2=O)cc1
Show InChI InChI=1S/C21H24FN7O3/c1-32-17-8-4-15(5-9-17)12-28-19(26-11-10-25-18(23)24)27-20(30)29(21(28)31)13-14-2-6-16(22)7-3-14/h2-9H,10-13H2,1H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 33n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294604
PNG
(1-(2-(5-(3,4-dichlorobenzyl)-1-(4-(difluoromethoxy...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-c1nc(=O)n(-[#6]-c2ccc(Cl)c(Cl)c2)c(=O)n1-[#6]-c1ccc(-[#8]-[#6](F)F)cc1
Show InChI InChI=1S/C21H21Cl2F2N7O3/c22-15-6-3-13(9-16(15)23)11-32-20(33)30-19(29-8-7-28-18(26)27)31(21(32)34)10-12-1-4-14(5-2-12)35-17(24)25/h1-6,9,17H,7-8,10-11H2,(H4,26,27,28)(H,29,30,33)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294603
PNG
(1-(2-(5-(4-methoxybenzyl)-1-((6-methoxypyridin-3-y...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])n(-[#6]-c3ccc(-[#8]-[#6])nc3)c2=O)cc1
Show InChI InChI=1S/C21H26N8O4/c1-32-16-6-3-14(4-7-16)12-29-20(30)27-19(25-10-9-24-18(22)23)28(21(29)31)13-15-5-8-17(33-2)26-11-15/h3-8,11H,9-10,12-13H2,1-2H3,(H4,22,23,24)(H,25,27,30)
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n/an/a 51n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294592
PNG
(1-(2-(5-(4-cyanobenzyl)-1-(4-methoxybenzyl)-4,6-di...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(cc3)C#N)c2=O)cc1
Show InChI InChI=1S/C22H24N8O3/c1-33-18-8-6-17(7-9-18)13-29-20(27-11-10-26-19(24)25)28-21(31)30(22(29)32)14-16-4-2-15(12-23)3-5-16/h2-9H,10-11,13-14H2,1H3,(H4,24,25,26)(H,27,28,31)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294606
PNG
(1-(2-(5-benzyl-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C21H25N7O3/c1-31-17-9-7-16(8-10-17)13-27-19(25-12-11-24-18(22)23)26-20(29)28(21(27)30)14-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H4,22,23,24)(H,25,26,29)
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n/an/a 336n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294591
PNG
(1-(2-(1-(4-methoxybenzyl)-5-(4-methoxyphenethyl)-4...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])n(-[#6]-c3ccc(-[#8]-[#6])cc3)c2=O)cc1
Show InChI InChI=1S/C23H29N7O4/c1-33-18-7-3-16(4-8-18)11-14-29-22(31)28-21(27-13-12-26-20(24)25)30(23(29)32)15-17-5-9-19(34-2)10-6-17/h3-10H,11-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294598
PNG
(1-(2-(5-(3,4-dichlorobenzyl)-4,6-dioxo-1-(4-propox...)
Show SMILES [#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(Cl)c(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C23H27Cl2N7O3/c1-2-11-35-17-6-3-15(4-7-17)13-31-21(29-10-9-28-20(26)27)30-22(33)32(23(31)34)14-16-5-8-18(24)19(25)12-16/h3-8,12H,2,9-11,13-14H2,1H3,(H4,26,27,28)(H,29,30,33)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294590
PNG
(1-(2-(5-(4-hydroxybenzyl)-1-(4-methoxybenzyl)-4,6-...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(-[#8])cc3)c2=O)cc1
Show InChI InChI=1S/C21H25N7O4/c1-32-17-8-4-15(5-9-17)12-27-19(25-11-10-24-18(22)23)26-20(30)28(21(27)31)13-14-2-6-16(29)7-3-14/h2-9,29H,10-13H2,1H3,(H4,22,23,24)(H,25,26,30)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294593
PNG
(1-(3-(5-(3,4-dichlorobenzyl)-1-(4-methoxybenzyl)-4...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(Cl)c(Cl)c3)c2=O)cc1
Show InChI InChI=1S/C22H25Cl2N7O3/c1-34-16-6-3-14(4-7-16)12-30-20(28-10-2-9-27-19(25)26)29-21(32)31(22(30)33)13-15-5-8-17(23)18(24)11-15/h3-8,11H,2,9-10,12-13H2,1H3,(H4,25,26,27)(H,28,29,32)
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n/an/a 1.21E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294602
PNG
(1-(2-(5-(4-chlorobenzyl)-1-(furan-3-yl)-4,6-dioxo-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-c1nc(=O)n(-[#6]-c2ccc(Cl)cc2)c(=O)n1-c1ccoc1
Show InChI InChI=1S/C17H18ClN7O3/c18-12-3-1-11(2-4-12)9-24-16(26)23-15(22-7-6-21-14(19)20)25(17(24)27)13-5-8-28-10-13/h1-5,8,10H,6-7,9H2,(H4,19,20,21)(H,22,23,26)
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n/an/a 1.87E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294583
PNG
(1-(2-(5-butyl-1-(4-methoxybenzyl)-4,6-dioxo-1,4,5,...)
Show SMILES [#6]-[#6]-[#6]-[#6]-n1c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])n(-[#6]-c2ccc(-[#8]-[#6])cc2)c1=O
Show InChI InChI=1S/C18H27N7O3/c1-3-4-11-24-17(26)23-16(22-10-9-21-15(19)20)25(18(24)27)12-13-5-7-14(28-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H4,19,20,21)(H,22,23,26)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294607
PNG
(1-(2-(1-(4-methoxybenzyl)-4,6-dioxo-5-phenethyl-1,...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-[#6]-c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C22H27N7O3/c1-32-18-9-7-17(8-10-18)15-29-20(26-13-12-25-19(23)24)27-21(30)28(22(29)31)14-11-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294584
PNG
(1-(2-(5-(furan-2-yl)-1-(4-methoxybenzyl)-4,6-dioxo...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-c3ccco3)c2=O)cc1
Show InChI InChI=1S/C18H21N7O4/c1-28-13-6-4-12(5-7-13)11-24-16(22-9-8-21-15(19)20)23-17(26)25(18(24)27)14-3-2-10-29-14/h2-7,10H,8-9,11H2,1H3,(H4,19,20,21)(H,22,23,26)
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n/an/a 2.59E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294594
PNG
(1-(2-(5-(4-fluorobenzyl)-1-(4-methoxyphenethyl)-4,...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3ccc(F)cc3)c2=O)cc1
Show InChI InChI=1S/C22H26FN7O3/c1-33-18-8-4-15(5-9-18)10-13-29-20(27-12-11-26-19(24)25)28-21(31)30(22(29)32)14-16-2-6-17(23)7-3-16/h2-9H,10-14H2,1H3,(H4,24,25,26)(H,27,28,31)
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n/an/a 2.86E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294600
PNG
(1-(2-(5-(4-methoxybenzyl)-1-((4-methoxycyclohexyl)...)
Show SMILES COC1CCC(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(OC)cc3)c2=O)CC1 |(6.7,-34.55,;8.03,-35.32,;9.37,-34.56,;9.37,-33.02,;10.7,-32.25,;12.03,-33.03,;13.43,-32.12,;13.43,-30.58,;14.77,-29.81,;16.1,-30.58,;17.44,-29.8,;18.77,-30.57,;20.1,-29.8,;21.44,-30.57,;22.77,-29.8,;21.44,-32.11,;14.76,-28.26,;13.43,-27.49,;13.42,-25.95,;12.1,-28.26,;10.77,-27.49,;10.77,-25.95,;12.1,-25.19,;12.1,-23.65,;10.77,-22.88,;10.77,-21.34,;12.1,-20.57,;9.43,-23.66,;9.44,-25.19,;12.1,-29.81,;10.76,-30.58,;12.04,-34.57,;10.7,-35.33,)|
Show InChI InChI=1S/C22H33N7O4/c1-32-17-7-3-15(4-8-17)13-28-20(26-12-11-25-19(23)24)27-21(30)29(22(28)31)14-16-5-9-18(33-2)10-6-16/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 3.26E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294587
PNG
(1-(2-(5-(3-methoxybenzyl)-1-(4-methoxybenzyl)-4,6-...)
Show SMILES [#6]-[#8]-c1ccc(-[#6]-n2c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c3cccc(-[#8]-[#6])c3)c2=O)cc1
Show InChI InChI=1S/C22H27N7O4/c1-32-17-8-6-15(7-9-17)13-28-20(26-11-10-25-19(23)24)27-21(30)29(22(28)31)14-16-4-3-5-18(12-16)33-2/h3-9,12H,10-11,13-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
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n/an/a 3.69E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294595
PNG
(1-(2-(1-benzyl-5-(4-chloro-2-methoxybenzyl)-4,6-di...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-c1nc(=O)n(-[#6]-c2ccc(Cl)cc2)c(=O)n1-[#6]-c1ccccc1
Show InChI InChI=1S/C20H22ClN7O2/c21-16-8-6-15(7-9-16)13-28-19(29)26-18(25-11-10-24-17(22)23)27(20(28)30)12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H4,22,23,24)(H,25,26,29)
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n/an/a 4.78E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294599
PNG
(1-(2-(5-(3,4-dichlorobenzyl)-1-hexyl-4,6-dioxo-1,4...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-n1c(-[#7]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nc(=O)n(-[#6]-c2ccc(Cl)c(Cl)c2)c1=O
Show InChI InChI=1S/C19H27Cl2N7O2/c1-2-3-4-5-10-27-17(25-9-8-24-16(22)23)26-18(29)28(19(27)30)12-13-6-7-14(20)15(21)11-13/h6-7,11H,2-5,8-10,12H2,1H3,(H4,22,23,24)(H,25,26,29)
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n/an/a 6.51E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
Prokineticin Receptor 1 (PKR1)


(Homo sapiens (Human))
BDBM50294597
PNG
(1-(2-(5-(4-fluorobenzyl)-1-(4-nitrobenzyl)-4,6-dio...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#7]-c1nc(=O)n(-[#6]-c2ccc(F)cc2)c(=O)n1-[#6]-c1ccc(cc1)-[#7+](-[#8-])=O
Show InChI InChI=1S/C20H21FN8O4/c21-15-5-1-13(2-6-15)12-28-19(30)26-18(25-10-9-24-17(22)23)27(20(28)31)11-14-3-7-16(8-4-14)29(32)33/h1-8H,9-12H2,(H4,22,23,24)(H,25,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human PKR1 expressed in HEK293 cells assessed as inhibition of PK1-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2661-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.157
BindingDB Entry DOI: 10.7270/Q23N23DG
More data for this
Ligand-Target Pair
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