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3 similar compounds to monomer 50123599

Compile data set for download or QSAR
Wt: 458.5
BDBM50123590

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50123590   
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


(Homo sapiens (Human))
BDBM50123590
PNG
(CHEMBL3622714)
Show SMILES COC[C@@]1(CC=C)C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18-,19-,20-,24-,25-,26+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.092
BindingDB Entry DOI: 10.7270/Q2NV9M2W
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50123590
PNG
(CHEMBL3622714)
Show SMILES COC[C@@]1(CC=C)C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18-,19-,20-,24-,25-,26+/m0/s1
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PC cid
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.092
BindingDB Entry DOI: 10.7270/Q2NV9M2W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50123590
PNG
(CHEMBL3622714)
Show SMILES COC[C@@]1(CC=C)C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C26H34O7/c1-6-9-26(15-30-4)12-18(22(28)31-5)24(2)10-7-17-23(29)33-19(16-8-11-32-14-16)13-25(17,3)20(24)21(26)27/h6,8,11,14,17-20H,1,7,9-10,12-13,15H2,2-5H3/t17-,18-,19-,20-,24-,25-,26+/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from FLAG-tagged mouse delta opioid receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 25: 4689-92 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.092
BindingDB Entry DOI: 10.7270/Q2NV9M2W
More data for this
Ligand-Target Pair