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7 similar compounds to monomer 50007000

Compile data set for download or QSAR
Wt: 417.3
BDBM50001104
Wt: 403.3
BDBM50006997
Wt: 391.3
BDBM50006999
Wt: 377.3
BDBM50007004
Wt: 434.3
BDBM50088380
Wt: 417.3
BDBM50280515
Wt: 447.3
BDBM50280516

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50001104,50006997,50006999,50007004,50088380,50280515,50280516   
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


(Cavia porcellus (domestic guinea pig))
BDBM50001104
PNG
(2-(3,4-Dichloro-phenyl)-1-(3-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1Cc2ccccc2C(CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-12-18-6-2-3-7-19(18)22(15-26-10-4-5-11-26)27(16)23(28)14-17-8-9-20(24)21(25)13-17/h2-3,6-9,13,16,22H,4-5,10-12,14-15H2,1H3/t16-,22?/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor kappa


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50088380
PNG
(1-(1-{[2-(3,4-Dichloro-phenyl)-acetyl]-methyl-amin...)
Show SMILES CN([C@@H]1[C@H](CCc2cc(O)ccc12)[NH+]1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O2/c1-26(22(29)13-15-4-8-19(24)20(25)12-15)23-18-7-6-17(28)14-16(18)5-9-21(23)27-10-2-3-11-27/h4,6-8,12,14,21,23,28H,2-3,5,9-11,13H2,1H3/p+1/t21-,23-/m0/s1
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1n/an/an/an/an/an/an/an/a



Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 in guinea pig brain homogenates


J Med Chem 43: 2124-34 (2000)


Article DOI: 10.1021/jm991161k
BindingDB Entry DOI: 10.7270/Q23N242D
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50280516
PNG
(2-(3,4-Dichloro-phenyl)-N-((1S,2S)-5-methoxy-2-pyr...)
Show SMILES COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O2/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3/t21-,24-/m0/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50280515
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...)
Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50001104
PNG
(2-(3,4-Dichloro-phenyl)-1-(3-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1Cc2ccccc2C(CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-12-18-6-2-3-7-19(18)22(15-26-10-4-5-11-26)27(16)23(28)14-17-8-9-20(24)21(25)13-17/h2-3,6-9,13,16,22H,4-5,10-12,14-15H2,1H3/t16-,22?/m1/s1
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11n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor mu


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001104
PNG
(2-(3,4-Dichloro-phenyl)-1-(3-methyl-1-pyrrolidin-1...)
Show SMILES C[C@@H]1Cc2ccccc2C(CN2CCCC2)N1C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-16-12-18-6-2-3-7-19(18)22(15-26-10-4-5-11-26)27(16)23(28)14-17-8-9-20(24)21(25)13-17/h2-3,6-9,13,16,22H,4-5,10-12,14-15H2,1H3/t16-,22?/m1/s1
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44n/an/an/an/an/an/an/an/a



Zambeletti Research Laboratories

Curated by ChEMBL


Assay Description
Receptor binding affinity towards opioid receptor delta


J Med Chem 35: 2970-8 (1992)


Article DOI: 10.1021/jm00094a006
BindingDB Entry DOI: 10.7270/Q2P26ZR7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50280516
PNG
(2-(3,4-Dichloro-phenyl)-N-((1S,2S)-5-methoxy-2-pyr...)
Show SMILES COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O2/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3/t21-,24-/m0/s1
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304n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to mu opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50007004
PNG
(3,4-Dichloro-N-(2-dimethylamino-1,2,3,4-tetrahydro...)
Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-9-13-6-4-5-7-15(13)19(18)24(3)20(25)14-8-10-16(21)17(22)12-14/h4-8,10,12,18-19H,9,11H2,1-3H3/t18-,19-/m1/s1
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505n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50280515
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...)
Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1
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545n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to mu opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50006999
PNG
(2-(3,4-Dichloro-phenyl)-N-(2-dimethylamino-1,2,3,4...)
Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(2)19-11-9-15-6-4-5-7-16(15)21(19)25(3)20(26)13-14-8-10-17(22)18(23)12-14/h4-8,10,12,19,21H,9,11,13H2,1-3H3/t19-,21-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50006997
PNG
(3,4-Dichloro-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)16-8-10-18(23)19(24)14-16)21-17-7-3-2-6-15(17)9-11-20(21)26-12-4-5-13-26/h2-3,6-8,10,14,20-21H,4-5,9,11-13H2,1H3/t20-,21-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor mu using [3H]-etorphine as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50280516
PNG
(2-(3,4-Dichloro-phenyl)-N-((1S,2S)-5-methoxy-2-pyr...)
Show SMILES COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O2/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3/t21-,24-/m0/s1
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2.09E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to delta opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50280516
PNG
(2-(3,4-Dichloro-phenyl)-N-((1S,2S)-5-methoxy-2-pyr...)
Show SMILES COc1cccc2[C@@H]([C@H](CCc12)N1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H28Cl2N2O2/c1-27(23(29)15-16-8-10-19(25)20(26)14-16)24-18-6-5-7-22(30-2)17(18)9-11-21(24)28-12-3-4-13-28/h5-8,10,14,21,24H,3-4,9,11-13,15H2,1-2H3/t21-,24-/m0/s1
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5.16E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to sigma opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50280515
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...)
Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to delta opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50280515
PNG
(2-(3,4-Dichloro-phenyl)-N-methyl-N-((1S,2S)-2-pyrr...)
Show SMILES CN([C@@H]1[C@H](CCc2ccccc12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O/c1-26(22(28)15-16-8-10-19(24)20(25)14-16)23-18-7-3-2-6-17(18)9-11-21(23)27-12-4-5-13-27/h2-3,6-8,10,14,21,23H,4-5,9,11-13,15H2,1H3/t21-,23-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to sigma opioid receptor


Bioorg Med Chem Lett 2: 715-720 (1992)


Article DOI: 10.1016/S0960-894X(00)80398-4
BindingDB Entry DOI: 10.7270/Q27P8ZVH
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50007004
PNG
(3,4-Dichloro-N-(2-dimethylamino-1,2,3,4-tetrahydro...)
Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-9-13-6-4-5-7-15(13)19(18)24(3)20(25)14-8-10-16(21)17(22)12-14/h4-8,10,12,18-19H,9,11H2,1-3H3/t18-,19-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50006999
PNG
(2-(3,4-Dichloro-phenyl)-N-(2-dimethylamino-1,2,3,4...)
Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H24Cl2N2O/c1-24(2)19-11-9-15-6-4-5-7-16(15)21(19)25(3)20(26)13-14-8-10-17(22)18(23)12-14/h4-8,10,12,19,21H,9,11,13H2,1-3H3/t19-,21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50006997
PNG
(3,4-Dichloro-N-methyl-N-(2-pyrrolidin-1-yl-1,2,3,4...)
Show SMILES CN([C@H]1[C@@H](CCc2ccccc12)N1CCCC1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H24Cl2N2O/c1-25(22(27)16-8-10-18(23)19(24)14-16)21-17-7-3-2-6-15(17)9-11-20(21)26-12-4-5-13-26/h2-3,6-8,10,14,20-21H,4-5,9,11-13H2,1H3/t20-,21-/m1/s1
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n/an/a 368n/an/an/an/an/an/a



University of Notre Dame

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand


J Med Chem 34: 1891-6 (1991)


Article DOI: 10.1021/jm00110a021
BindingDB Entry DOI: 10.7270/Q2WW7GM5
More data for this
Ligand-Target Pair