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1 similar compounds to monomer 50036832

Compile data set for download or QSAR
Wt: 412.5
BDBM50002021

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50002021   
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))
BDBM50002021
PNG
(CHEMBL607067)
Show SMILES CC1[C@H]2[C@H]3Cc4ccc(O)c5O[C@H](c6[nH]c7ccccc7c16)[C@]2(CCN3CC(C)=C)c45
Show InChI InChI=1S/C27H28N2O2/c1-14(2)13-29-11-10-27-22-15(3)21-17-6-4-5-7-18(17)28-24(21)26(27)31-25-20(30)9-8-16(23(25)27)12-19(22)29/h4-9,15,19,22,26,28,30H,1,10-13H2,2-3H3/t15?,19-,22+,26-,27+/m1/s1
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Article
PubMed
8.90n/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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002021
PNG
(CHEMBL607067)
Show SMILES CC1[C@H]2[C@H]3Cc4ccc(O)c5O[C@H](c6[nH]c7ccccc7c16)[C@]2(CCN3CC(C)=C)c45
Show InChI InChI=1S/C27H28N2O2/c1-14(2)13-29-11-10-27-22-15(3)21-17-6-4-5-7-18(17)28-24(21)26(27)31-25-20(30)9-8-16(23(25)27)12-19(22)29/h4-9,15,19,22,26,28,30H,1,10-13H2,2-3H3/t15?,19-,22+,26-,27+/m1/s1
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
851n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50002021
PNG
(CHEMBL607067)
Show SMILES CC1[C@H]2[C@H]3Cc4ccc(O)c5O[C@H](c6[nH]c7ccccc7c16)[C@]2(CCN3CC(C)=C)c45
Show InChI InChI=1S/C27H28N2O2/c1-14(2)13-29-11-10-27-22-15(3)21-17-6-4-5-7-18(17)28-24(21)26(27)31-25-20(30)9-8-16(23(25)27)12-19(22)29/h4-9,15,19,22,26,28,30H,1,10-13H2,2-3H3/t15?,19-,22+,26-,27+/m1/s1
PDB

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PC sid
UniChem

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Article
PubMed
1.07E+3n/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