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7 similar compounds to monomer 50086366

Compile data set for download or QSAR
Wt: 276.3
BDBM50086358
Wt: 318.4
BDBM50086360
Wt: 362.4
BDBM50086361
Wt: 380.5
BDBM50086363
Wt: 312.4
BDBM50086364
Wt: 382.5
BDBM50086365
Wt: 326.4
BDBM50086367

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50086358,50086360,50086361,50086363,50086364,50086365,50086367   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086361
PNG
(3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-23(2,21(24-3)17-10-7-12-19(26)14-17)22(27)25-15-18-11-6-9-16-8-4-5-13-20(16)18/h4-14,21,24,26H,15H2,1-3H3,(H,25,27)
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to human Opioid receptor kappa 1 expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50086367
PNG
(3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H26N2O2/c1-20(2,18(21-3)16-10-7-11-17(23)14-16)19(24)22-13-12-15-8-5-4-6-9-15/h4-11,14,18,21,23H,12-13H2,1-3H3,(H,22,24)
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat Opioid receptor mu 1


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50086361
PNG
(3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-23(2,21(24-3)17-10-7-12-19(26)14-17)22(27)25-15-18-11-6-9-16-8-4-5-13-20(16)18/h4-14,21,24,26H,15H2,1-3H3,(H,25,27)
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat Opioid receptor mu 1


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086363
PNG
(3-(Cyclopropylmethyl-methyl-amino)-3-(3-hydroxy-ph...)
Show SMILES CN(CC1CC1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H32N2O2/c1-24(2,23(28)25-15-14-18-8-5-4-6-9-18)22(26(3)17-19-12-13-19)20-10-7-11-21(27)16-20/h4-11,16,19,22,27H,12-15,17H2,1-3H3,(H,25,28)
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2.90n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to human Opioid receptor kappa 1 expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50086360
PNG
(CHEMBL347531 | N-Cyclohexylmethyl-3-(3-hydroxy-phe...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h7,10-12,14,17,20,22H,4-6,8-9,13H2,1-3H3,(H,21,23)
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4.40n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat Opioid receptor mu 1


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086364
PNG
(CHEMBL146750 | N-Benzyl-3-(3-hydroxy-phenyl)-2,2-d...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H24N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h4-12,17,20,22H,13H2,1-3H3,(H,21,23)
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5n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to human Opioid receptor kappa 1 expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086360
PNG
(CHEMBL347531 | N-Cyclohexylmethyl-3-(3-hydroxy-phe...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h7,10-12,14,17,20,22H,4-6,8-9,13H2,1-3H3,(H,21,23)
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5.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to human Opioid receptor kappa 1 expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086367
PNG
(3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H26N2O2/c1-20(2,18(21-3)16-10-7-11-17(23)14-16)19(24)22-13-12-15-8-5-4-6-9-15/h4-11,14,18,21,23H,12-13H2,1-3H3,(H,22,24)
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to human Opioid receptor kappa 1 expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50086364
PNG
(CHEMBL146750 | N-Benzyl-3-(3-hydroxy-phenyl)-2,2-d...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H24N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h4-12,17,20,22H,13H2,1-3H3,(H,21,23)
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8.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat Opioid receptor mu 1


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50086365
PNG
(3-(Butyl-methyl-amino)-3-(3-hydroxy-phenyl)-2,2-di...)
Show SMILES CCCCN(C)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-5-6-17-26(4)22(20-13-10-14-21(27)18-20)24(2,3)23(28)25-16-15-19-11-8-7-9-12-19/h7-14,18,22,27H,5-6,15-17H2,1-4H3,(H,25,28)
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26n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat Opioid receptor mu 1


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50086363
PNG
(3-(Cyclopropylmethyl-methyl-amino)-3-(3-hydroxy-ph...)
Show SMILES CN(CC1CC1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H32N2O2/c1-24(2,23(28)25-15-14-18-8-5-4-6-9-18)22(26(3)17-19-12-13-19)20-10-7-11-21(27)16-20/h4-11,16,19,22,27H,12-15,17H2,1-3H3,(H,25,28)
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28n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat Opioid receptor mu 1


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086358
PNG
(CHEMBL347316 | N-Cyclopropylmethyl-3-(3-hydroxy-ph...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CC1
Show InChI InChI=1S/C16H24N2O2/c1-16(2,15(20)18-10-11-7-8-11)14(17-3)12-5-4-6-13(19)9-12/h4-6,9,11,14,17,19H,7-8,10H2,1-3H3,(H,18,20)
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75n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to human Opioid receptor kappa 1 expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50086365
PNG
(3-(Butyl-methyl-amino)-3-(3-hydroxy-phenyl)-2,2-di...)
Show SMILES CCCCN(C)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-5-6-17-26(4)22(20-13-10-14-21(27)18-20)24(2,3)23(28)25-16-15-19-11-8-7-9-12-19/h7-14,18,22,27H,5-6,15-17H2,1-4H3,(H,25,28)
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75n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69,593 binding to human Opioid receptor kappa 1 expressed in HEK 293 cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086361
PNG
(3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-23(2,21(24-3)17-10-7-12-19(26)14-17)22(27)25-15-18-11-6-9-16-8-4-5-13-20(16)18/h4-14,21,24,26H,15H2,1-3H3,(H,25,27)
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163n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-naltrindole binding to human Opioid receptor delta 1 in CHO cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086367
PNG
(3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H26N2O2/c1-20(2,18(21-3)16-10-7-11-17(23)14-16)19(24)22-13-12-15-8-5-4-6-9-15/h4-11,14,18,21,23H,12-13H2,1-3H3,(H,22,24)
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176n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-naltrindole binding to human Opioid receptor delta 1 in CHO cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50086358
PNG
(CHEMBL347316 | N-Cyclopropylmethyl-3-(3-hydroxy-ph...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CC1
Show InChI InChI=1S/C16H24N2O2/c1-16(2,15(20)18-10-11-7-8-11)14(17-3)12-5-4-6-13(19)9-12/h4-6,9,11,14,17,19H,7-8,10H2,1-3H3,(H,18,20)
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364n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat Opioid receptor mu 1


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086363
PNG
(3-(Cyclopropylmethyl-methyl-amino)-3-(3-hydroxy-ph...)
Show SMILES CN(CC1CC1)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H32N2O2/c1-24(2,23(28)25-15-14-18-8-5-4-6-9-18)22(26(3)17-19-12-13-19)20-10-7-11-21(27)16-20/h4-11,16,19,22,27H,12-15,17H2,1-3H3,(H,25,28)
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710n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-naltrindole binding to human Opioid receptor delta 1 in CHO cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086358
PNG
(CHEMBL347316 | N-Cyclopropylmethyl-3-(3-hydroxy-ph...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CC1
Show InChI InChI=1S/C16H24N2O2/c1-16(2,15(20)18-10-11-7-8-11)14(17-3)12-5-4-6-13(19)9-12/h4-6,9,11,14,17,19H,7-8,10H2,1-3H3,(H,18,20)
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781n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-naltrindole binding to human Opioid receptor delta 1 in CHO cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086360
PNG
(CHEMBL347531 | N-Cyclohexylmethyl-3-(3-hydroxy-phe...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C19H30N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h7,10-12,14,17,20,22H,4-6,8-9,13H2,1-3H3,(H,21,23)
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881n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-naltrindole binding to human Opioid receptor delta 1 in CHO cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086365
PNG
(3-(Butyl-methyl-amino)-3-(3-hydroxy-phenyl)-2,2-di...)
Show SMILES CCCCN(C)C(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H34N2O2/c1-5-6-17-26(4)22(20-13-10-14-21(27)18-20)24(2,3)23(28)25-16-15-19-11-8-7-9-12-19/h7-14,18,22,27H,5-6,15-17H2,1-4H3,(H,25,28)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-naltrindole binding to human Opioid receptor delta 1 in CHO cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50086364
PNG
(CHEMBL146750 | N-Benzyl-3-(3-hydroxy-phenyl)-2,2-d...)
Show SMILES CNC(c1cccc(O)c1)C(C)(C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H24N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h4-12,17,20,22H,13H2,1-3H3,(H,21,23)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]-naltrindole binding to human Opioid receptor delta 1 in CHO cells


Bioorg Med Chem Lett 10: 523-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00034-2
BindingDB Entry DOI: 10.7270/Q2BG2N79
More data for this
Ligand-Target Pair