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3 similar compounds to monomer 50002017

Compile data set for download or QSAR
Wt: 377.4
BDBM50002036
Wt: 167.2
BDBM50036828
Wt: 167.2
BDBM50078129

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50002036,50036828,50078129   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50002036
PNG
(CHEMBL195770)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1ncncc1C[C@@]35O
Show InChI InChI=1S/C22H23N3O3/c26-15-4-3-13-7-16-22(27)8-14-9-23-11-24-18(14)20-21(22,17(13)19(15)28-20)5-6-25(16)10-12-1-2-12/h3-4,9,11-12,16,20,26-27H,1-2,5-8,10H2/t16?,20-,21?,22+/m0/s1
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3.5n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50002036
PNG
(CHEMBL195770)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1ncncc1C[C@@]35O
Show InChI InChI=1S/C22H23N3O3/c26-15-4-3-13-7-16-22(27)8-14-9-23-11-24-18(14)20-21(22,17(13)19(15)28-20)5-6-25(16)10-12-1-2-12/h3-4,9,11-12,16,20,26-27H,1-2,5-8,10H2/t16?,20-,21?,22+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002036
PNG
(CHEMBL195770)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)c1ncncc1C[C@@]35O
Show InChI InChI=1S/C22H23N3O3/c26-15-4-3-13-7-16-22(27)8-14-9-23-11-24-18(14)20-21(22,17(13)19(15)28-20)5-6-25(16)10-12-1-2-12/h3-4,9,11-12,16,20,26-27H,1-2,5-8,10H2/t16?,20-,21?,22+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50078129
PNG
((S)-2-Amino-3-phenyl-propane-1-thiol | 2-Amino-3-p...)
Show SMILES N[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C9H13NS/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
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30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of pig kidney Aminopeptidase N


Bioorg Med Chem Lett 9: 1511-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00236-x
BindingDB Entry DOI: 10.7270/Q2H132JR
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50036828
PNG
(1-Mercaptomethyl-2-phenyl-ethyl-ammonium | 2-Amino...)
Show SMILES NC(CS)Cc1ccccc1
Show InChI InChI=1S/C9H13NS/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
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n/an/a 30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


J Med Chem 35: 1259-66 (1992)


Article DOI: 10.1021/jm00085a013
BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50036828
PNG
(1-Mercaptomethyl-2-phenyl-ethyl-ammonium | 2-Amino...)
Show SMILES NC(CS)Cc1ccccc1
Show InChI InChI=1S/C9H13NS/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
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n/an/a 30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against aminopeptidase N (APN)


J Med Chem 37: 1339-46 (1994)


Article DOI: 10.1021/jm00035a014
BindingDB Entry DOI: 10.7270/Q2K074ZR
More data for this
Ligand-Target Pair