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3 similar compounds to monomer 50001845

Compile data set for download or QSAR
Wt: 384.5
BDBM50001846
Wt: 456.6
BDBM50001847
Wt: 424.5
BDBM50001849

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50001846,50001847,50001849   
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


(Rattus norvegicus (rat))
BDBM50001846
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H32N2O3/c1-16-12-20(26)13-17(2)21(16)14-22(24)23(27)25-18(3)15-28-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,26H,7,10-11,14-15,24H2,1-3H3,(H,25,27)/t18-,22?/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001847
PNG
(2-Amino-N-[2-tert-butoxy-1-(3-phenyl-propoxymethyl...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
Show InChI InChI=1S/C27H40N2O4/c1-19-14-23(30)15-20(2)24(19)16-25(28)26(31)29-22(18-33-27(3,4)5)17-32-13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-15,22,25,30H,9,12-13,16-18,28H2,1-5H3,(H,29,31)/t22-,25?/m0/s1
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n/an/a 340n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001849
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-[2-(3-...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1COCCCc1ccccc1
Show InChI InChI=1S/C26H36N2O3/c1-19-15-23(29)16-20(2)24(19)17-25(27)26(30)28-13-7-6-12-22(28)18-31-14-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,29H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001847
PNG
(2-Amino-N-[2-tert-butoxy-1-(3-phenyl-propoxymethyl...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
Show InChI InChI=1S/C27H40N2O4/c1-19-14-23(30)15-20(2)24(19)16-25(28)26(31)29-22(18-33-27(3,4)5)17-32-13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-15,22,25,30H,9,12-13,16-18,28H2,1-5H3,(H,29,31)/t22-,25?/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001849
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-[2-(3-...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1COCCCc1ccccc1
Show InChI InChI=1S/C26H36N2O3/c1-19-15-23(29)16-20(2)24(19)17-25(27)26(30)28-13-7-6-12-22(28)18-31-14-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,29H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001846
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H32N2O3/c1-16-12-20(26)13-17(2)21(16)14-22(24)23(27)25-18(3)15-28-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,26H,7,10-11,14-15,24H2,1-3H3,(H,25,27)/t18-,22?/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001849
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-[2-(3-...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1COCCCc1ccccc1
Show InChI InChI=1S/C26H36N2O3/c1-19-15-23(29)16-20(2)24(19)17-25(27)26(30)28-13-7-6-12-22(28)18-31-14-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,29H,6-8,11-14,17-18,27H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50001847
PNG
(2-Amino-N-[2-tert-butoxy-1-(3-phenyl-propoxymethyl...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
Show InChI InChI=1S/C27H40N2O4/c1-19-14-23(30)15-20(2)24(19)16-25(28)26(31)29-22(18-33-27(3,4)5)17-32-13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-15,22,25,30H,9,12-13,16-18,28H2,1-5H3,(H,29,31)/t22-,25?/m0/s1
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n/an/a 33n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor mu expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50001846
PNG
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)
Show SMILES C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C23H32N2O3/c1-16-12-20(26)13-17(2)21(16)14-22(24)23(27)25-18(3)15-28-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,26H,7,10-11,14-15,24H2,1-3H3,(H,25,27)/t18-,22?/m1/s1
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n/an/a 21n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor delta expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair