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5 similar compounds to monomer 50005641

Compile data set for download or QSAR
Wt: 373.4
BDBM50005640
Wt: 415.4
BDBM50005646
Wt: 400.4
BDBM50398707
Wt: 343.3
BDBM50398708
Wt: 623.7
BDBM50406409

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50005640,50005646,50398707,50398708,50406409   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
BindingDB Entry DOI: 10.7270/Q29024ZC
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM50005646
PNG
(CHEMBL3235419)
Show SMILES CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CCCc1ccccc1)CC(=O)OC
Show InChI InChI=1S/C21H29N5O4/c1-22-21(29)18(11-17-12-23-15-24-17)25-19(27)13-26(14-20(28)30-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,12,15,18H,6,9-11,13-14H2,1-2H3,(H,22,29)(H,23,24)(H,25,27)/t18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated amyloid beta (16 to 23) hydrolysis using ATTO 655-Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate p...


Eur J Med Chem 79: 184-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.009
BindingDB Entry DOI: 10.7270/Q27H1M34
More data for this
Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM50005640
PNG
(CHEMBL3235415)
Show SMILES CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C18H23N5O4/c1-19-18(27)15(7-14-8-20-12-21-14)22-16(24)10-23(11-17(25)26)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,27)(H,20,21)(H,22,24)(H,25,26)/t15-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDE-mediated amyloid beta (16 to 23) hydrolysis using ATTO 655-Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate p...


Eur J Med Chem 79: 184-93 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.009
BindingDB Entry DOI: 10.7270/Q27H1M34
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50406409
PNG
(CHEMBL2062125 | U-73777E)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CN[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1
Show InChI InChI=1S/C35H41N7O4/c1-24(43)40-31(19-27-15-9-4-10-16-27)35(46)42-32(20-28-21-37-23-39-28)34(45)41-29(17-25-11-5-2-6-12-25)22-38-30(33(36)44)18-26-13-7-3-8-14-26/h2-16,21,23,29-32,38H,17-20,22H2,1H3,(H2,36,44)(H,37,39)(H,40,43)(H,41,45)(H,42,46)/t29-,30-,31-,32-/m0/s1
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n/an/an/a 220n/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Dissociation constant (Kd) of renin inhibitor was determined over a temperature range of 8-37 degree by the fluorescence displacement assay


J Med Chem 33: 2080-6 (1990)


Article DOI: 10.1021/jm00170a006
BindingDB Entry DOI: 10.7270/Q2D50KX6
More data for this
Ligand-Target Pair